 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer05_M11-def2SVPDr.in
 Output=12_L-valine_conformer05_M11-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
            -H     0
            S    3   1.00
                 13.0107010              0.19682158D-01
                  1.9622572              0.13796524
                  0.44453796             0.47831935
            S    1   1.00
                  0.12194962             1.0000000
            P    1   1.00
                  0.8000000              1.0000000
            P    1   1.00
                  0.11704099050          1.0000000
            ****
            -He     0
            S    3   1.00
                 38.354936737            0.23814288905D-01
                  5.7689081479           0.15490906777
                  1.2399407035           0.46998096633
            S    1   1.00
                  0.29757815953          1.0000000
            P    1   1.00
                  1.0000000              1.0000000
            P    1   1.00
                  0.22039119441          1.0000000
            ****
            -Li     0
            S    5   1.00
                266.27785516             0.64920150325D-02
                 40.069783447            0.47747863215D-01
                  9.0559944389           0.20268796111
                  2.4503009051           0.48606574817
                  0.72209571855          0.43626977955
            S    1   1.00
                  0.52810884721D-01      1.0000000
            S    1   1.00
                  0.20960948798D-01      1.0000000
            P    2   1.00
                  1.4500000              0.2586000
                  0.3000000              1.0000000
            P    1   1.00
                  0.0820000              1.0000000
            P    1   1.00
                  0.26347662457D-01      1.0000000
            ****
            -Be     0
            S    5   1.00
                515.18616125             0.55615307983D-02
                 77.511037595            0.41190068062D-01
                 17.552481693            0.17913378108
                  4.8028940596           0.44736716455
                  1.4516214316           0.42009581920
            S    1   1.00
                  0.13281633620          1.0000000
            S    1   1.00
                  0.45837372213D-01      1.0000000
            P    3   1.00
                  3.6316917145          -0.29033998305D-01
                  0.71695694366         -0.16877854032
                  0.19541932860         -0.51403419628
            P    1   1.00
                  0.60515465890D-01      1.0000000
            P    1   1.00
                  0.30181880660D-01      1.0000000
            ****
            -B     0
            S    5   1.00
                839.31830086            -0.55929201074D-02
                126.26464843            -0.41565520771D-01
                 28.620600763           -0.18299816983
                  7.8793722710          -0.46540391866
                  2.4088857172          -0.44173884791
            S    1   1.00
                  0.25105109036          1.0000000
            S    1   1.00
                  0.83648866069D-01      1.0000000
            S    1   1.00
                  0.42351565332D-01      1.0000000
            P    3   1.00
                  6.0332223619          -0.35603672456D-01
                  1.2499157866          -0.19895775769
                  0.33871676350         -0.50850202618
            P    1   1.00
                  0.96415632351D-01      1.0000000
            D    1   1.00
                  0.5000000              1.0000000
            D    1   1.00
                  0.74392443101D-01      1.0000000
            ****
            -C     0
            S    5   1.00
               1238.4016938              0.54568832082D-02
                186.29004992             0.40638409211D-01
                 42.251176346            0.18025593888
                 11.676557932            0.46315121755
                  3.5930506482           0.44087173314
            S    1   1.00
                  0.40245147363          1.0000000
            S    1   1.00
                  0.13090182668          1.0000000
            S    1   1.00
                  0.67053540256D-01      1.0000000
            P    3   1.00
                  9.4680970621           0.38387871728D-01
                  2.0103545142           0.21117025112
                  0.54771004707          0.51328172114
            P    1   1.00
                  0.15268613795          1.0000000
            D    1   1.00
                  0.8000000              1.0000000
            D    1   1.00
                  0.11713185140          1.0000000
            ****
            -N     0
            S    5   1.00
               1712.8415853             -0.53934125305D-02
                257.64812677            -0.40221581118D-01
                 58.458245853           -0.17931144990
                 16.198367905           -0.46376317823
                  5.0052600809          -0.44171422662
            S    1   1.00
                  0.58731856571          1.0000000
            S    1   1.00
                  0.18764592253          1.0000000
            S    1   1.00
                  0.96171241529D-01      1.0000000
            P    3   1.00
                 13.571470233           -0.40072398852D-01
                  2.9257372874          -0.21807045028
                  0.79927750754         -0.51294466049
            P    1   1.00
                  0.21954348034          1.0000000
            D    1   1.00
                  1.0000000              1.0000000
            D    1   1.00
                  0.16697708112          1.0000000
            ****
            -O     0
            S    5   1.00
               2266.1767785             -0.53431809926D-02
                340.87010191            -0.39890039230D-01
                 77.363135167           -0.17853911985
                 21.479644940           -0.46427684959
                  6.6589433124          -0.44309745172
            S    1   1.00
                  0.80975975668          1.0000000
            S    1   1.00
                  0.25530772234          1.0000000
            S    1   1.00
                  0.76572453250D-01      1.0000000
            P    3   1.00
                 17.721504317            0.43394573193D-01
                  3.8635505440           0.23094120765
                  1.0480920883           0.51375311064
            P    1   1.00
                  0.27641544411          1.0000000
            P    1   1.00
                  0.69002276350D-01      1.0000000
            D    1   1.00
                  1.2000000              1.0000000
            D    1   1.00
                  0.17992024323          1.0000000
            ****
            -F     0
            S    5   1.00
               2894.8325990             -0.53408255515D-02
                435.41939120            -0.39904258866D-01
                 98.843328866           -0.17912768038
                 27.485198001           -0.46758090825
                  8.5405498171          -0.44653131020
            S    1   1.00
                  1.0654578038           1.0000000
            S    1   1.00
                  0.33247346748          1.0000000
            S    1   1.00
                  0.98097752264D-01      1.0000000
            P    3   1.00
                 22.696633924           -0.45212874436D-01
                  4.9872339257          -0.23754317067
                  1.3491613954          -0.51287353587
            P    1   1.00
                  0.34829881977          1.0000000
            P    1   1.00
                  0.83372148304D-01      1.0000000
            D    1   1.00
                  1.4000000              1.0000000
            D    1   1.00
                  0.22301361948          1.0000000
            ****
            -Ne     0
            S    5   1.00
               3598.9736625             -0.53259297003D-02
                541.32073112            -0.39817417969D-01
                122.90450062            -0.17914358188
                 34.216617022           -0.46893582977
                 10.650584124           -0.44782537577
            S    1   1.00
                  1.3545953960           1.0000000
            S    1   1.00
                  0.41919362639          1.0000000
            S    1   1.00
                  0.12055043545          1.0000000
            P    3   1.00
                 28.424053785           -0.46031944795D-01
                  6.2822510953          -0.23993183041
                  1.6978715079          -0.50871724964
            P    1   1.00
                  0.43300700172          1.0000000
            P    1   1.00
                  0.10141942051          1.0000000
            D    1   1.00
                  1.8880000              1.0000000
            D    1   1.00
                  0.28026803041          1.0000000
            ****
            -Na     0
            S    5   1.00
               4098.2003908             -0.58535911879D-02
                616.49374031            -0.43647161872D-01
                139.96644001            -0.19431465884
                 39.073441051           -0.48685065731
                 11.929847205           -0.41881705137
            S    3   1.00
                 20.659966030            0.85949689854D-01
                  1.9838860978          -0.56359144041
                  0.64836323942         -0.51954009048
            S    1   1.00
                  0.52443967404D-01      1.0000000
            S    1   1.00
                  0.28048160742D-01      1.0000000
            P    5   1.00
                 75.401862017            0.154353625324D-01
                 17.274818978            0.997382931840D-01
                  5.1842347425           0.312095939659
                  1.6601211973           0.492956748074
                  0.51232528958          0.324203983180
            P    1   1.00
                  0.0520000              1.0000000
            P    1   1.00
                  0.19853008514D-01      1.0000000
            D    1   1.00
                  0.1310000              1.0000000
            ****
            -Mg     0
            S    5   1.00
               4953.8339196             -0.57778967498D-02
                745.18044154            -0.43124761082D-01
                169.21604972            -0.19268216987
                 47.300672019           -0.48641439116
                 14.461336973           -0.42550894077
            S    3   1.00
                 24.768174789            0.87956969984D-01
                  2.4940945349          -0.55165058128
                  0.87807584533         -0.53443294833
            S    1   1.00
                  0.87212782497D-01      1.0000000
            S    1   1.00
                  0.33599293780D-01      1.0000000
            P    5   1.00
                 98.053010494           -0.14480564601D-01
                 22.586932277           -0.95495750787D-01
                  6.8391509842          -0.30787672651
                  2.2332843818          -0.49936292886
                  0.71606599387         -0.31503476213
            P    1   1.00
                  0.18914796195          1.0000000
            P    1   1.00
                  0.53768755187D-01      1.0000000
            P    1   1.00
                  0.23963578287D-01      1.0000000
            D    1   1.00
                  0.1010000              1.0000000
            ****
            -Al     0
            S    5   1.00
               5887.5727030              0.13483347987D-02
                885.61225996             0.10071576809D-01
                201.13604899             0.45132454056D-01
                 56.284974674            0.11461268043
                 17.229551243            0.10159608943
            S    3   1.00
                 29.340249922            0.69347454208D-01
                  3.0439630420          -0.42528117679
                  1.1285539518          -0.41449832210
            S    1   1.00
                  0.14234175160          1.0000000
            S    1   1.00
                  0.54400192313D-01      1.0000000
            S    1   1.00
                  0.32535359511D-01      1.0000000
            P    5   1.00
                145.11918809             0.63963373134D-02
                 33.717894833            0.44189359965D-01
                 10.369863083            0.15581575993
                  3.5135616036           0.28635286951
                  1.1980050273           0.22921423248
            P    1   1.00
                  0.26583005913          1.0000000
            P    1   1.00
                  0.71003361994D-01      1.0000000
            D    1   1.00
                  0.3000000              1.0000000
            D    1   1.00
                  0.53071685831D-01      1.0000000
            ****
            -Si     0
            S    5   1.00
               6903.7118686              0.13373962995D-02
               1038.4346419              0.99966546241D-02
                235.87581480             0.44910165101D-01
                 66.069385169            0.11463638540
                 20.247945761            0.10280063858
            S    3   1.00
                 34.353481730            0.70837285010D-01
                  3.6370788192          -0.43028836252
                  1.4002048599          -0.41382774969
            S    1   1.00
                  0.20484414805          1.0000000
            S    1   1.00
                  0.77994095468D-01      1.0000000
            S    1   1.00
                  0.46834778282D-01      1.0000000
            P    5   1.00
                179.83907373             0.61916656462D-02
                 41.907258846            0.43399431982D-01
                 12.955294367            0.15632019351
                  4.4383267393           0.29419996982
                  1.5462247904           0.23536823814
            P    1   1.00
                  0.35607612302          1.0000000
            P    1   1.00
                  0.10008513762          1.0000000
            D    1   1.00
                  0.3500000              1.0000000
            D    1   1.00
                  0.74117707708D-01      1.0000000
            ****
            -P     0
            S    5   1.00
               8002.4795106              0.57503489302D-02
               1203.6813590              0.43007628959D-01
                273.44227031             0.19363986252
                 76.655541517            0.49651693399
                 23.516927435            0.44983262479
            S    3   1.00
                 39.791683439            0.95188129789D-01
                  4.2770343323          -0.57649840368
                  1.6940256888          -0.54239583865
            S    1   1.00
                  0.27567674644          1.0000000
            S    1   1.00
                  0.10495590099          1.0000000
            S    1   1.00
                  0.64309734755D-01      1.0000000
            P    5   1.00
                219.50755823             0.92100565257D-02
                 51.274155030            0.65409765745D-01
                 15.921595892            0.24033730279
                  5.5069913481           0.46318321788
                  1.9537719426           0.37392563382
            P    1   1.00
                  0.47803397932          1.0000000
            P    1   1.00
                  0.13657952621          1.0000000
            D    1   1.00
                  0.4500000              1.0000000
            D    1   1.00
                  0.99587311089D-01      1.0000000
            ****
            -S     0
            S    5   1.00
               9184.9303010             -0.22294387756D-02
               1381.5105503             -0.16683029937D-01
                313.87147580            -0.75262436116D-01
                 88.053870623           -0.19376827038
                 27.039914905           -0.17718020803
            S    3   1.00
                 45.648731303           -0.10736062573
                  4.9664522326           0.65066293018
                  2.0116242047           0.59712155354
            S    1   1.00
                  0.35661077013          1.0000000
            S    1   1.00
                  0.13507221477          1.0000000
            S    1   1.00
                  0.44999823506D-01      1.0000000
            P    5   1.00
                261.98233439            -0.92729929822D-02
                 61.306894736           -0.66547669241D-01
                 19.103729887           -0.24828595903
                  6.6567720378          -0.48703847402
                  2.3959635161          -0.39337850312
            P    1   1.00
                  0.61776161679          1.0000000
            P    1   1.00
                  0.16993376871          1.0000000
            P    1   1.00
                  0.41706793676D-01      1.0000000
            D    1   1.00
                  0.5500000              1.0000000
            D    1   1.00
                  0.10172853717          1.0000000
            ****
            -Cl     0
            S    5   1.00
              10449.8275660              0.19708362484D-02
               1571.7365221              0.14754727977D-01
                357.12065523             0.66679112875D-01
                100.25185935             0.17228924084
                 30.812727554            0.15883786100
            S    3   1.00
                 51.923789434           -0.10009298909
                  5.7045760975           0.60841752753
                  2.3508376809           0.54352153355
            S    1   1.00
                  0.44605124672          1.0000000
            S    1   1.00
                  0.16848856190          1.0000000
            S    1   1.00
                  0.55344229413D-01      1.0000000
            P    5   1.00
                307.66790569            -0.87801484118D-02
                 72.102015515           -0.63563355471D-01
                 22.532680262           -0.24016428276
                  7.8991765444          -0.47798866557
                  2.8767268321          -0.38515850005
            P    1   1.00
                  0.77459363955          1.0000000
            P    1   1.00
                  0.21037699698          1.0000000
            P    1   1.00
                  0.50046271086D-01      1.0000000
            D    1   1.00
                  0.6500000              1.0000000
            D    1   1.00
                  0.12284803390          1.0000000
            ****
            -Ar     0
            S    5   1.00
              11797.1197650              0.20214479973D-02
               1774.3522753              0.15139852688D-01
                403.18875733             0.68525400873D-01
                113.24933999             0.17762929207
                 34.835298193            0.16496495001
            S    3   1.00
                 58.614775042           -0.10343394000
                  6.4922045078           0.63133365899
                  2.7117014403           0.54887572301
            S    1   1.00
                  0.54412974538          1.0000000
            S    1   1.00
                  0.20517411136          1.0000000
            S    1   1.00
                  0.66442487045D-01      1.0000000
            P    5   1.00
                356.28707256            -0.87321783271D-02
                 83.593132866           -0.63680317444D-01
                 26.186704029           -0.24311906886
                  9.2257275925          -0.48956069653
                  3.3922754954          -0.39229190040
            P    1   1.00
                  0.94740534010          1.0000000
            P    1   1.00
                  0.25659135062          1.0000000
            P    1   1.00
                  0.59491455142D-01      1.0000000
            D    1   1.00
                  0.6960000              1.0000000
            D    1   1.00
                  0.14309493859          1.0000000
            ****
            -K     0
            S    6   1.00
              31478.7467640              0.39838653994D-02
               4726.8876066              0.30501759762D-01
               1075.4345353              0.15073752622
                303.39811023             0.51912939801
                 98.327112831            1.0366957005
                 33.636222177            0.76398963199
            S    3   1.00
                 65.639209962           -0.28242617106
                  7.3162592218           1.6914935860
                  2.8902580135           1.2965331953
            S    3   1.00
                  4.5459748965          -0.76343555273D-02
                  0.70404124062          0.25635718960D-01
                  0.28266888959          0.16606859208D-01
            S    1   1.00
                  0.29058164020D-01      1.0000000
            S    1   1.00
                  0.12111638157D-01      1.0000000
            P    5   1.00
                361.22492154             0.20906479823D-01
                 84.670222166            0.15043641740
                 26.469088236            0.55440061077
                  9.2658077615           1.0409009991
                  3.3423388293           0.67825341194
            P    3   1.00
                  1.5100876104           0.75248191146
                  0.56568375163          1.3708585031
                  0.20817008495          0.66047633079
            P    1   1.00
                  0.0417370              1.0000000
            P    1   1.00
                  0.16603217986D-01      1.0000000
            D    1   1.00
                  0.3530000              1.0000000
            D    1   1.00
                  0.0980000              1.0000000
            ****
            -Ca     0
            S    6   1.00
              35138.7139290              0.39482520740D-02
               5276.4111348              0.30234243552D-01
               1200.4692589              0.14952019681
                338.71810542             0.51597345713
                109.85385922             1.0339510296
                 37.608880299            0.76937933526
            S    3   1.00
                 73.107977555           -0.28268525011
                  8.2407705688           1.6796092142
                  3.2959812993           1.2803766016
            S    3   1.00
                  5.2341800914          -0.76868604561D-02
                  0.84187220515          0.25382375978D-01
                  0.36510294029          0.16512171511D-01
            S    1   1.00
                  0.51222402884D-01      1.0000000
            S    1   1.00
                  0.19825111408D-01      1.0000000
            P    5   1.00
                413.11313893             0.20327135354D-01
                 96.935786224            0.14730276362
                 30.372154659            0.54887167322
                 10.684776830            1.0440659818
                  3.8821258350           0.68653490684
            P    3   1.00
                  1.7993016295           0.75410246871
                  0.69189056530          1.3409296599
                  0.26364024096          0.56391989435
            P    1   1.00
                  0.0749790              1.0000000
            P    1   1.00
                  0.23809355789D-01      1.0000000
            D    3   1.00
                  5.4979093879           0.73770011433D-01
                  1.3177128032           0.26052853169
                  0.32188682649          0.45233836380
            D    1   1.00
                  0.70528614919D-01      1.0000000
            ****
            -Sc     0
            S    6   1.00
              38956.0818040              0.39293205858D-02
               5849.5733637              0.30093221229D-01
               1330.8813154              0.14890370950
                375.55534165             0.51464282906
                121.87261370             1.0337708070
                 41.760243729            0.77436851627
            S    3   1.00
                 81.060633953           -0.28318552316
                  9.2059823972           1.6770806984
                  3.7063215732           1.2594733678
            S    3   1.00
                  5.9888909988          -0.77821367493D-02
                  0.97363432378          0.25499692745D-01
                  0.42041019223          0.16191560820D-01
            S    1   1.00
                  0.59440551913D-01      1.0000000
            S    1   1.00
                  0.22897806303D-01      1.0000000
            P    5   1.00
                466.31481262             0.19984300385D-01
                109.51217097             0.14561043072
                 34.375921827            0.54687466223
                 12.142096955            1.0479006012
                  4.4336767669           0.68894890327
            P    3   1.00
                  2.0971291866           0.75619214724
                  0.80977606956          1.3178212235
                  0.30834046588          0.54312268173
            P    1   1.00
                  0.0897480              1.0000000
            P    1   1.00
                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
                 26.726257934            0.64752124207
                 11.124501923            0.44241976651
            S    3   1.00
                 19.888520061           -0.22857227762
                  3.3668473803           0.73591359951
                  1.5249277839           0.44330199577
            S    1   1.00
                  0.29630037912          1.0000000
            S    1   1.00
                  0.11009288974          1.0000000
            S    1   1.00
                  0.42167294728D-01      1.0000000
            P    5   1.00
               1455.9068120              0.88203597043D-02
                343.75101831             0.66875851967D-01
                109.29554964             0.26640578080
                 39.707711022            0.53834928422
                 14.950185232            0.36303281993
            P    3   1.00
                  8.0208962094           0.34153807025
                  3.2934649756           0.57257906583
                  1.4058602438           0.25549813222
            P    1   1.00
                  0.45076123226          1.0000000
            P    1   1.00
                  0.13353413325          1.0000000
            P    1   1.00
                  0.34396697938D-01      1.0000000
            D    4   1.00
                 94.494024044            0.23490101098D-01
                 27.188185260            0.13747735767D+00
                  9.5091567352           0.36649929124D+00
                  3.4170516853           0.48750989884D+00
            D    1   1.00
                  1.1479590083            .27657943383D+00
            D    1   1.00
                  0.3380000              1.0000000
            D    1   1.00
                  0.82767380906D-01      1.0000000
            ****
            -Br     0
            S    6   1.00
             113286.3877600              0.14283037779D-02
              17009.6263030              0.10950417496D-01
               3870.1842567              0.54421006604D-01
               1093.0357227              0.19047907695
                356.39721797             0.39024642737
                123.12539643             0.30814432514
            S    3   1.00
                236.74084007            -0.11228065671
                 28.468661070            0.64775962312
                 11.883443722            0.44235575986
            S    3   1.00
                 21.269633312           -0.22642576323
                  3.6129226841           0.73823712008
                  1.6626648969           0.42683868694
            S    1   1.00
                  0.34823793232          1.0000000
            S    1   1.00
                  0.13019031394          1.0000000
            S    1   1.00
                  0.50966709763D-01      1.0000000
            P    5   1.00
               1560.2801881              0.87166669072D-02
                368.47859205             0.66243637420D-01
                117.22978849             0.26495610385
                 42.648909248            0.53839160587
                 16.087225096            0.36579387888
            P    3   1.00
                  8.6352810058           0.34248787366
                  3.5613665502           0.57500678213
                  1.5292626609           0.24330394172
            P    1   1.00
                  0.53064294848          1.0000000
            P    1   1.00
                  0.15702758965          1.0000000
            P    1   1.00
                  0.39636841846D-01      1.0000000
            D    4   1.00
                104.85518642             0.22650147581D-01
                 30.281143688            0.13455483230
                 10.651394267            0.36474454537
                  3.8699456233           0.49044587056
            D    1   1.00
                  1.3240876762            .27137289040
            D    1   1.00
                  0.3890000              1.0000000
            D    1   1.00
                  0.96543342393D-01      1.0000000
            ****
            -Kr     0
            S    6   1.00
             120165.6487500              0.14294234496D-02
              18042.5001690              0.10959597020D-01
               4105.1800388              0.54479647470D-01
               1159.4447248              0.19081239122
                378.13810346             0.39140445949
                130.67610045             0.31007346689
            S    3   1.00
                250.96373353            -0.11258604011
                 30.265930380            0.64816322524
                 12.668110757            0.44240238994
            S    3   1.00
                 22.697940101           -0.22391964908
                  3.8673017398           0.74060953026
                  1.8013706671           0.40803658445
            S    1   1.00
                  0.40308639136          1.0000000
            S    1   1.00
                  0.15170527749          1.0000000
            S    1   1.00
                  0.60450731670D-01      1.0000000
            P    5   1.00
               1668.5736623              0.86215009803D-02
                394.13862798             0.65665506884D-01
                125.46644854             0.26366576697
                 45.704992729            0.53867658574
                 17.270133229            0.36865167502
            P    3   1.00
                  9.2699487770           0.34346189015
                  3.8364617719           0.57784776196
                  1.6467163312           0.23075615197
            P    1   1.00
                  0.61479686489          1.0000000
            P    1   1.00
                  0.18319467414          1.0000000
            P    1   1.00
                  0.45792563991D-01      1.0000000
            D    4   1.00
                115.55868603             0.21945485333D-01
                 33.477985864            0.13211212879
                 11.834450207            0.36333306964
                  4.3408254894           0.49300484446
            D    1   1.00
                  1.5079273157            .26676858913
            D    1   1.00
                  0.4430000              1.0000000
            D    1   1.00
                  0.11235044486          1.0000000
            ****
            -Rb     0
            S    3   1.00
                  4.6687885071           0.29008526793
                  2.9442428420          -0.67740090428
                  0.58171262989          0.45712389487
            S    1   1.00
                  0.45147933555          1.0000000
            S    1   1.00
                  0.21604923532          1.0000000
            S    1   1.00
                  0.32088816526D-01      1.0000000
            S    1   1.00
                  0.13833878175D-01      1.0000000
            P    4   1.00
                  5.5234179480           0.51234729472D-01
                  3.4120149646          -0.17337025646
                  0.76899021792          0.43339683188
                  0.33088071786          0.55354332721
            P    1   1.00
                  0.13423268441          1.0000000
            P    1   1.00
                  0.20642679613D-01      1.0000000
            P    1   1.00
                  0.43243763156D-02      1.0000000
            D    1   1.00
                  0.2260000              1.0000000
            D    1   1.00
                  0.27432280711D-01      1.0000000
            ****
            -Sr     0
            S    3   1.00
                  5.9276428767           0.19698765364
                  3.0691274814          -0.64852205985
                  0.70675488028          0.62064729022
            S    1   1.00
                  0.33824024280          1.0000000
            S    1   1.00
                  0.61768869200D-01      1.0000000
            S    1   1.00
                  0.25767593093D-01      1.0000000
            P    4   1.00
                  2.4324720000          -0.37145059848
                  1.6642340000           0.37856824234
                  0.59455471858          0.59874487803
                  0.26152621998          0.35314019512
            P    1   1.00
                  0.10258814042          1.0000000
            P    1   1.00
                  0.33223404030D-01      1.0000000
            P    1   1.00
                  0.16570352270D-01      1.0000000
            D    4   1.00
                  3.6180810000          -0.75010000000D-02
                  0.99665600000          0.10809800000
                  0.39073500000          0.27854000000
                  0.12277000000          0.47731800000
            D    1   1.00
                  0.36655000000D-01       .44818300000
            ****
            -Y     0
            S    3   1.00
                  5.1329580000          -1.3864845457
                  4.2401920000           1.9459581166
                  1.2982800000           0.44182603154
            S    1   1.00
                  0.82904954347          1.0000000
            S    1   1.00
                  0.34752758911          1.0000000
            S    1   1.00
                  0.68418878574D-01      1.0000000
            S    1   1.00
                  0.27323992904D-01      1.0000000
            P    4   1.00
                  2.7279200000          -0.37249884911871
                  1.9790500000           0.32572065995957
                  0.79980886805          0.50094655502482
                  0.38409397354          0.44385929492812
            P    1   1.00
                  0.16173582264          1.0000000
            P    1   1.00
                  0.69700000000D-01      1.0000000
            P    1   1.00
                  0.0300000              1.0000000
            D    4   1.00
                  3.9030833060          -0.0098209792625124
                  1.1363234302           0.19183629664092
                  0.45617043877          0.40597788538820
                  0.17470950748          0.43861485518224
            D    1   1.00
                  0.61978796638D-01      1.0000000
            F    1   1.00
                  0.2651500              1.0000000
            ****
            -Zr     0
            S    3   1.00
                  5.8737890000           0.54255558714
                  4.2872700000          -0.95241333244
                  1.4641370000          -0.13703926411
            S    1   1.00
                  0.83727682345           .88521584390
            S    1   1.00
                  0.36849806511          1.0000000
            S    1   1.00
                  0.77806859124D-01      1.0000000
            S    1   1.00
                  0.30273088330D-01      1.0000000
            P    4   1.00
                  2.8742240000          -0.46624086918
                  2.1199010000           0.45883133891
                  0.78845821105          0.58853912475
                  0.36332579847          0.35822232244
            P    1   1.00
                  0.14951762021          1.0000000
            P    1   1.00
                  0.67000000000D-01      1.0000000
            P    1   1.00
                  0.30000000000D-01      1.0000000
            D    4   1.00
                  4.2898623878          -0.12212868080D-01
                  1.3615557498           0.19692423520
                  0.56937550689          0.42057831659
                  0.22674948677          0.42757027999
            D    1   1.00
                  0.83011031631D-01      1.0000000
            F    1   1.00
                  0.3926100              1.0000000
            ****
            -Nb     0
            S    3   1.00
                  6.5663010000          -0.94917907866
                  4.5864380000           1.5736372883
                  3.7537700000           0.36380422981
            S    1   1.00
                  0.84187717437          1.0000000
            S    1   1.00
                  0.38160666177          1.0000000
            S    1   1.00
                  0.85819911368D-01      1.0000000
            S    1   1.00
                  0.32702330370D-01      1.0000000
            P    4   1.00
                  3.0700630000          -0.51025115881
                  2.2379640000           0.53570598017
                  0.80801969671          0.63102216351
                  0.35783343432          0.30205908942
            P    1   1.00
                  0.13820085283          1.0000000
            P    1   1.00
                  0.70500000000D-01      1.0000000
            P    1   1.00
                  0.0360000              1.0000000
            D    4   1.00
                  4.6170975867          -0.13574476955D-01
                  1.5663438480           0.20374310496
                  0.66952425826          0.42997453105
                  0.27140946867          0.4179975484761
            D    1   1.00
                  0.10054426592          1.0000000
            F    1   1.00
                  0.5227000              1.0000000
            ****
            -Mo     0
            S    3   1.00
                  7.2033800000          -0.89310617237
                  5.0522950000           1.6074095756
                  2.9135330000           0.27804186088
            S    1   1.00
                  0.97858218681          1.0000000
            S    1   1.00
                  0.44369153753          1.0000000
            S    1   1.00
                  0.92150090705D-01      1.0000000
            S    1   1.00
                  0.34802246935D-01      1.0000000
            P    4   1.00
                  3.1518660000          -0.71873040872
                  2.4534820000           0.76442887870
                  0.85030192180          0.64808585640
                  0.36918237179          0.26792115234
            P    1   1.00
                  0.13490627460          1.0000000
            P    1   1.00
                  0.71800000000D-01      1.0000000
            P    1   1.00
                  0.38200000000D-01      1.0000000
            D    4   1.00
                  5.0044445497          -0.21587364862D-01
                  1.7736823324           0.20958680086
                  0.76950591696          0.43730880599
                  0.31530878939          0.41123927009
            D    1   1.00
                  0.11754374390          1.0000000
            F    1   1.00
                  0.6554500              1.0000000
            ****
            -Tc     0
            S    3   1.00
                  7.4344020000          -1.1436289973
                  5.5513270000           1.8752000559
                  3.0230860000           0.23952854431
            S    1   1.00
                  1.0647443990           1.0000000
            S    1   1.00
                  0.48127808497          1.0000000
            S    1   1.00
                  0.98299016952D-01      1.0000000
            S    1   1.00
                  0.36659977936D-01      1.0000000
            P    4   1.00
                  3.4490050000          -0.72277510434
                  2.6927370000           0.76458962802
                  0.94427370692          0.64533225171
                  0.41348148619          0.27195668811
            P    1   1.00
                  0.15488152305          1.0000000
            P    1   1.00
                  0.79000000000D-01      1.0000000
            P    1   1.00
                  0.40300000000D-01      1.0000000
            D    4   1.00
                  5.0906268699          -0.32176405405D-01
                  2.0156178510           0.21280802536
                  0.88113887240          0.44403309175
                  0.36427094833          0.40796933085
            D    1   1.00
                  0.13678402297          1.0000000
            F    1   1.00
                  0.7908500              1.0000000
            ****
            -Ru     0
            S    3   1.00
                  7.9365700000          -1.1772083350
                  5.9842450000           1.6197059592
                  4.8822200000           0.51065807556
            S    1   1.00
                  1.1031002163           1.0000000
            S    1   1.00
                  0.49818875261          1.0000000
            S    1   1.00
                  0.10678711393          1.0000000
            S    1   1.00
                  0.39191775872D-01      1.0000000
            P    4   1.00
                  3.7546090000          -0.70777873563
                  2.9165710000           0.74954391484
                  1.0322209568           0.64660609645
                  0.45249553774          0.27029086816
            P    1   1.00
                  0.16987042198          1.0000000
            P    1   1.00
                  0.85500000000D-01      1.0000000
            P    1   1.00
                  0.43000000000D-01      1.0000000
            D    4   1.00
                  5.7341846619          -0.35266111560D-01
                  2.2483686294           0.21802502222
                  0.98376978359          0.44709565013
                  0.40379445583          0.40371732508
            D    1   1.00
                  0.14978618173          1.0000000
            F    1   1.00
                  0.9431400              1.0000000
            ****
            -Rh     0
            S    3   1.00
                  7.9177440000           0.14014042010165D+01
                  6.8412070000          -0.17975072656312D+01
                  2.9598400000          -0.16225754496571
            S    1   1.00
                  1.3166643441            .87495110714057
            S    1   1.00
                  0.56907152172          1.0000000
            S    1   1.00
                  0.10059695193          1.0000000
            S    1   1.00
                  0.37071460798D-01      1.0000000
            P    4   1.00
                  4.1360790000          -0.55183328017626
                  2.9462810000           0.61370533515352
                  1.0792431924           0.64005434538256
                  0.46611217769          0.25958050755066
            P    1   1.00
                  0.17453169991          1.0000000
            P    1   1.00
                  0.84600000000D-01      1.0000000
            P    1   1.00
                  0.0410000              1.0000000
            D    4   1.00
                  6.8847131641          -0.15962387984517D-01
                  2.3837304391           0.23047555828858
                  1.0184384022           0.44075804027937
                  0.39957494644          0.39567661995894
            D    1   1.00
                  0.13951120264          1.0000000
            F    1   1.00
                  1.0949900              1.0000000
            ****
            -Pd     0
            S    3   1.00
                  8.4756400000           1.2392391076
                  7.1657170000          -1.6563109970
                  3.1821100000          -0.13178619060
            S    1   1.00
                  1.3973644196           1.0000000
            S    1   1.00
                  0.60532955868          1.0000000
            S    1   1.00
                  0.10229514209          1.0000000
            S    1   1.00
                  0.37338972881D-01      1.0000000
            P    4   1.00
                  4.2460970000          -0.82324104973
                  3.3925940000           0.87084659933
                  1.1975891264           0.63512225791
                  0.52673750585          0.27225338752
            P    1   1.00
                  0.20607094098          1.0000000
            P    1   1.00
                  0.87300000000D-01      1.0000000
            P    1   1.00
                  0.37000000000D-01      1.0000000
            D    4   1.00
                  7.3613290985          -0.17199885828D-01
                  2.6291037258           0.23313745275
                  1.1292744634           0.44536385867
                  0.44471659896          0.39293650406
            D    1   1.00
                  0.15544893836          1.0000000
            F    1   1.00
                  1.2462900              1.0000000
            ****
            -Ag     0
            S    3   1.00
                  9.0884420000          -1.9808918797
                  7.5407310000           2.7554513347
                  2.7940050000           0.22715408381
            S    1   1.00
                  1.4918135849           1.0000000
            S    1   1.00
                  0.63579159445          1.0000000
            S    1   1.00
                  0.10368414161          1.0000000
            S    1   1.00
                  0.37460004363D-01      1.0000000
            P    4   1.00
                  4.4512400000          -0.99352103771
                  3.6752630000           1.0500525237
                  1.2610620905           0.64747532537
                  0.54212477498          0.25621550723
            P    1   1.00
                  0.20221617026          1.0000000
            P    1   1.00
                  0.91300000000D-01      1.0000000
            P    1   1.00
                  0.0412000              1.0000000
            D    4   1.00
                  7.7956672292          -0.17042912377D-01
                  2.8926510238           0.23446154803
                  1.2474273203           0.44765877533
                  0.49313817671          0.39064954560
            D    1   1.00
                  0.17285032603          1.0000000
            F    1   1.00
                  1.3971100              1.0000000
            ****
            -Cd     0
            S    3   1.00
                  9.7270110000          -1.7930075316
                  7.8375230000           2.6110318971
                  5.0891940000           0.10748428949
            S    1   1.00
                  1.4981738327           1.0000000
            S    1   1.00
                  0.67281383129          1.0000000
            S    1   1.00
                  0.13297424875          1.0000000
            S    1   1.00
                  0.46915090488D-01      1.0000000
            P    4   1.00
                  4.7427160000          -1.0411923051
                  3.9366550000           1.1003682332
                  1.3569243142           0.65366639411
                  0.58791569541          0.24632369113
            P    1   1.00
                  0.21371239619          1.0000000
            P    1   1.00
                  0.10500000000          1.0000000
            P    1   1.00
                  0.0516000              1.0000000
            D    4   1.00
                  7.8631040859          -0.21376239365D-01
                  3.2935059133           0.22596399568
                  1.4503676025           0.45294402972
                  0.59373316766          0.39218971958231D+00
            D    1   1.00
                  0.21760141520          1.0000000
            F    1   1.00
                  1.5981300              1.0000000
            ****
            -In     0
            S    6   1.00
                283.52297445             0.70132141424D-03
                 23.324282101           -0.90887432418D-01
                 16.868026844            0.28096825177
                  6.7866498137          -0.70697832452
                  1.6782596016           0.98671644913
                  0.78396870439          0.62568576302
            S    2   1.00
                  1.8276654775          -0.34151640249
                  0.83753492534         -0.59696724334
            S    1   1.00
                  0.16643068973          1.0000000
            S    1   1.00
                  0.61143742809D-01      1.0000000
            S    1   1.00
                  0.25528481617D-01      1.0000000
            P    4   1.00
                 14.699191826            0.92248042349D-01
                  8.8709038051          -0.32437029300
                  1.1342905889           0.61162217018
                  0.52667652433          0.17609640386
            P    1   1.00
                  2.3284433667           1.0000000
            P    1   1.00
                  0.16859144934          1.0000000
            P    1   1.00
                  0.50070381081D-01      1.0000000
            D    5   1.00
                 31.378655926            0.54007004722D-02
                 18.290046326           -0.11208558948D-01
                  3.2551894590           0.30384519161
                  1.3874842584           0.54078109979
                  0.54248962672          0.38232680038
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.41325112998D-01      1.0000000
            ****
            -Sn     0
            S    6   1.00
                375.95156177             0.15224884228D-02
                 23.661818008           -0.16776065030
                 19.946281315            0.33989090393
                  6.8240270454          -0.84441791529
                  1.8771488722           0.92646952846
                  0.82033199226          0.53091094490
            S    2   1.00
                 10.341549887           -0.90331119154D-02
                  1.3672524155           0.22980877714
            S    1   1.00
                  0.18314843823          1.0000000
            S    1   1.00
                  0.69547226146D-01      1.0000000
            S    1   1.00
                  0.34867474697D-01      1.0000000
            P    4   1.00
                 21.293597748            0.37103218279D-01
                  8.8171842499          -0.32351709661
                  1.2347028371           0.83846760898
                  0.57869142617          0.23294977050
            P    1   1.00
                  2.5084050284           1.0000000
            P    1   1.00
                  0.21298577719          1.0000000
            P    1   1.00
                  0.67364584657D-01      1.0000000
            D    5   1.00
                 39.693023177            0.39185734275D-02
                 20.852179275           -0.68210073667D-02
                  3.6907832774           0.27938420495
                  1.5849404530           0.52607409874
                  0.62772693365          0.36149465348
            D    1   1.00
                  0.20500000000          1.0000000
            D    1   1.00
                  0.54356625231D-01      1.0000000
            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
                  1.9052000235           0.92017581656
                  0.93007107773          0.46754079597
            S    2   1.00
                 10.584496987           -0.14845336778D-01
                  1.4680242769           0.35289492025
            S    1   1.00
                  0.21621190032          1.0000000
            S    1   1.00
                  0.83546307041D-01      1.0000000
            S    1   1.00
                  0.43729879440D-01      1.0000000
            P    4   1.00
                 15.926550950            0.13206950012
                 10.052739237           -0.41511149340
                  1.2682183726           0.74197972626
                  0.57196620929          0.15580772750
            P    1   1.00
                  2.6190751238           1.0000000
            P    1   1.00
                  0.25183282652          1.0000000
            P    1   1.00
                  0.83389127684D-01      1.0000000
            D    5   1.00
                 45.485063360            0.32556415807D-02
                 18.504059617           -0.54952972010D-02
                  3.9156032308           0.27988806353
                  1.7142196009           0.51273377761
                  0.69675478242          0.33288802736
            D    1   1.00
                  0.23060000000          1.0000000
            D    1   1.00
                  0.66830850850D-01      1.0000000
            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
                  2.0705998798           0.79192928400
                  0.97715185085          0.40558342540
            S    2   1.00
                 11.263563841           -0.15212984183D-01
                  1.6122696062           0.35202140517
            S    1   1.00
                  0.25095401705          1.0000000
            S    1   1.00
                  0.97478452576D-01      1.0000000
            S    1   1.00
                  0.38352170654D-01      1.0000000
            P    4   1.00
                 17.479502221            0.11517799182
                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
                  0.59239616258          0.15283299018
            P    1   1.00
                  2.7961737670           1.0000000
            P    1   1.00
                  0.29766401026          1.0000000
            P    1   1.00
                  0.96151090240D-01      1.0000000
            P    1   1.00
                  0.26339831052D-01      1.0000000
            D    5   1.00
                 50.821835991            0.33763474774D-02
                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
                  0.77069282849          0.32213541689
            D    1   1.00
                  0.25000000000          1.0000000
            D    1   1.00
                  0.66543837442D-01      1.0000000
            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
                 11.720547572           -0.16160234511D-01
                  1.7625986449           0.35271525193
            S    1   1.00
                  0.28697476318          1.0000000
            S    1   1.00
                  0.11227609607          1.0000000
            S    1   1.00
                  0.45123635492D-01      1.0000000
            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
                  3.0288656771           1.0000000
            P    1   1.00
                  0.34506591841          1.0000000
            P    1   1.00
                  0.11134513813          1.0000000
            P    1   1.00
                  0.29795507230D-01      1.0000000
            D    5   1.00
                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
                  0.87640281623          0.31232025297
            D    1   1.00
                  0.30900000000          1.0000000
            D    1   1.00
                  0.77987255180D-01      1.0000000
            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
                 18.048324490            0.57524870348
            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
                  2.6257211320           1.0000000
            S    1   1.00
                  1.2905042943           1.0000000
            S    1   1.00
                  0.36204185060          1.0000000
            S    1   1.00
                  0.14069888091          1.0000000
            S    1   1.00
                  0.50201095588D-01      1.0000000
            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
                  0.52321923128          1.0000000
            P    1   1.00
                  0.21945569800          1.0000000
            P    1   1.00
                  0.86158996836D-01      1.0000000
            P    1   1.00
                  0.23749464135D-01      1.0000000
            D    6   1.00
                135.60300038             0.81873543290D-03
                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
                  1.2938205124           0.36029482992
            D    1   1.00
                  0.58050830139          1.0000000
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.68002755933D-01      1.0000000
            F    1   1.00
                  2.5000000              1.0000000
            F    1   1.00
                  0.49652793             1.0000000
            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
                  0.37485237136          1.0000000
            S    1   1.00
                  0.16384858778          1.0000000
            S    1   1.00
                  0.27230462048D-01      1.0000000
            S    1   1.00
                  0.11991533212D-01      1.0000000
            P    4   1.00
                  4.2751856154           0.45723074174D-01
                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
                  0.91450850296D-01      1.0000000
            P    1   1.00
                  0.17592078473D-01      1.0000000
            P    1   1.00
                  0.33986441258D-02      1.0000000
            D    1   1.00
                  0.1330000              1.0000000
            D    1   1.00
                  0.33216214821D-01      1.0000000
            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
                  0.27420073547          1.0000000
            S    1   1.00
                  0.40933264188D-01      1.0000000
            S    1   1.00
                  0.18060156423D-01      1.0000000
            P    4   1.00
                  2.9267420000           0.79815276764
                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
                  0.13221792446          1.0000000
            P    1   1.00
                  0.33039565349D-01      1.0000000
            P    1   1.00
                  0.14159090510D-01      1.0000000
            D    4   1.00
                  0.9663150             -0.9089380
                  0.8938280              0.9472400
                  0.2731950              0.3220570
                  0.1038910              0.4732600
            D    1   1.00
                  0.0355780              0.365977
            F    4   1.00
                 10.00                   0.073
                  3.20                   0.210
                  1.00                   0.350
                  0.32                   0.360
            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
                  0.48954926461          1.0000000
            S    1   1.00
                  0.23292032550          1.0000000
            S    1   1.00
                  0.55595529876D-01      1.0000000
            S    1   1.00
                  0.22795184937D-01      1.0000000
            P    4   1.00
                  3.0251610000          -0.28580266654872D+00
                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
                  0.32519427171         -0.58864843929619D+00
            P    1   1.00
                  0.13635489374          1.0000000
            P    1   1.00
                  0.58500000000D-01      1.0000000
            P    1   1.00
                  0.0251000              1.0000000
            D    4   1.00
                  1.2667182018          -0.17445579381106D+00
                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
                  0.13398788830          0.44878277154181D+00
            D    1   1.00
                  0.51275503081D-01      1.0000000
            F    1   1.00
                  0.2568300              1.0000000
            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
                  0.79665469409          1.0000000
            S    1   1.00
                  0.34234072894          1.0000000
            S    1   1.00
                  0.98109197714D-01      1.0000000
            S    1   1.00
                  0.36190984443D-01      1.0000000
            P    4   1.00
                  6.7265310000           0.65076205465872
                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
                  0.20258973792          1.0000000
            P    1   1.00
                  0.82500000000D-01      1.0000000
            P    1   1.00
                  0.0336000              1.0000000
            D    4   1.00
                  3.9820623229          -0.042446023944105
                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
                  0.73099858787D-01      1.0000000
            F    1   1.00
                  0.3154700              1.0000000
            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
                  0.39142776556D-01      1.0000000
            P    4   1.00
                  7.4188720000           0.26979695152
                  5.6984100000          -0.46968874449
                  1.1777211960           0.50905100155
                  0.54478533555          0.52298161137
            P    1   1.00
                  0.22309270117          1.0000000
            P    1   1.00
                  0.98100000000D-01      1.0000000
            P    1   1.00
                  0.0431000              1.0000000
            D    4   1.00
                  3.9738796278          -0.52799310714D-01
                  1.4528884813           0.18558319471
                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
                  0.87909318337D-01      1.0000000
            F    1   1.00
                  0.3738600              1.0000000
            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
            S    1   1.00
                  0.92785370307          1.0000000
            S    1   1.00
                  0.40334458241          1.0000000
            S    1   1.00
                  0.11585976646          1.0000000
            S    1   1.00
                  0.41800474073D-01      1.0000000
            P    4   1.00
                  7.2496570000           0.45857265530
                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
                  0.24106964301          1.0000000
            P    1   1.00
                  0.98600000000D-01      1.0000000
            P    1   1.00
                  0.0403000              1.0000000
            D    4   1.00
                  4.0131231332          -0.63416491808D-01
                  1.6237452450           0.18452733732
                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
                  0.10225296446          1.0000000
            F    1   1.00
                  0.4319900              1.0000000
            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
            S    1   1.00
                  0.43949851581D-01      1.0000000
            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
                  0.25922718696          1.0000000
            P    1   1.00
                  0.11190000000          1.0000000
            P    1   1.00
                  0.04200000000          1.0000000
            D    4   1.00
                  4.0616274916          -0.76667295205D-01
                  1.8487943286           0.18067495215
                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
                  0.11892742980          1.0000000
            F    1   1.00
                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
                  0.46783543749          1.0000000
            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
                  0.47101982911D-01      1.0000000
            P    4   1.00
                  7.9362790000           0.33899369659
                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
                  0.12830000000          1.0000000
            P    1   1.00
                  0.04800000000          1.0000000
            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
                  0.31306011113          1.0000000
            P    1   1.00
                  0.13100000000          1.0000000
            P    1   1.00
                  0.0548000              1.0000000
            D    4   1.00
                  3.6994850000          -0.54840155964653
                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
                  0.48989034059D-01      1.0000000
            P    4   1.00
                  8.1000000000           0.72955608128
                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
                  0.30270484669          1.0000000
            P    1   1.00
                  0.12300000000          1.0000000
            P    1   1.00
                  0.50000000000D-01      1.0000000
            D    4   1.00
                  4.6299536825          -0.87774450596D-01
                  2.1980241252           0.21158360681
                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
                  0.48876985527D-01      1.0000000
            P    4   1.00
                  8.6096650000           0.50053018599
                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
                  0.32384840661          1.0000000
            P    1   1.00
                  0.13220000000          1.0000000
            P    1   1.00
                  0.0540000              1.0000000
            D    4   1.00
                  4.1439490000          -0.37099566643
                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
                  0.16490636769          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
                  9.7729900000           0.21210940502
                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
                  0.34494917659          1.0000000
            P    1   1.00
                  0.15540000000          1.0000000
            P    1   1.00
                  0.07000000000          1.0000000
            D    4   1.00
                  4.2800000000          -0.32033414305491
                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
                  0.18501599388          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/12_L-valine/Gau-212988.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/12_L-valine/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    212989.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                26-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=12_L-valine_conformer05_M11-def2SVPDr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Sun Sep 26 19:47:54 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer05_M11-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.066458000000     -1.742250000000      0.058829000000
  C                                                 1.144781000000     -0.237615000000      0.319196000000
  C                                                 0.017403000000      0.519585000000     -0.407509000000
  C                                                -1.339934000000     -0.122015000000     -0.159849000000
  O                                                -1.699602000000     -0.061835000000      1.148390000000
  C                                                 2.507306000000      0.318287000000     -0.090613000000
  N                                                 0.026381000000      1.937057000000     -0.047760000000
  O                                                -2.052705000000     -0.609463000000     -0.998100000000
  H                                                 0.182303000000      0.443607000000     -1.483828000000
  H                                                 1.004355000000     -0.066187000000      1.392046000000
  H                                                -2.578745000000     -0.464892000000      1.218746000000
  H                                                -0.631756000000      2.459844000000     -0.613015000000
  H                                                -0.239946000000      2.056537000000      0.923147000000
  H                                                 3.302392000000     -0.158123000000      0.485808000000
  H                                                 2.698710000000      0.120238000000     -1.148924000000
  H                                                 2.557607000000      1.394116000000      0.066259000000
  H                                                 1.885722000000     -2.256885000000      0.562881000000
  H                                                 0.132400000000     -2.176666000000      0.418486000000
  H                                                 1.144663000000     -1.956563000000     -1.009918000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Sun Sep 26 19:47:55 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.066458   -1.742250    0.058829
      2          6           0        1.144781   -0.237615    0.319196
      3          6           0        0.017403    0.519585   -0.407509
      4          6           0       -1.339934   -0.122015   -0.159849
      5          8           0       -1.699602   -0.061835    1.148390
      6          6           0        2.507306    0.318287   -0.090613
      7          7           0        0.026381    1.937057   -0.047760
      8          8           0       -2.052705   -0.609463   -0.998100
      9          1           0        0.182303    0.443607   -1.483828
     10          1           0        1.004355   -0.066187    1.392046
     11          1           0       -2.578745   -0.464892    1.218746
     12          1           0       -0.631756    2.459844   -0.613015
     13          1           0       -0.239946    2.056537    0.923147
     14          1           0        3.302392   -0.158123    0.485808
     15          1           0        2.698710    0.120238   -1.148924
     16          1           0        2.557607    1.394116    0.066259
     17          1           0        1.885722   -2.256885    0.562881
     18          1           0        0.132400   -2.176666    0.418486
     19          1           0        1.144663   -1.956563   -1.009918
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.529004   0.000000
     3  C    2.536510   1.540270   0.000000
     4  C    2.909245   2.533112   1.521627   0.000000
     5  O    3.414971   2.967992   2.388928   1.358113   0.000000
     6  C    2.518767   1.527562   2.518047   3.872972   4.402010
     7  N    3.824973   2.472787   1.462439   2.473693   2.899200
     8  O    3.482741   3.478140   2.430822   1.203459   2.243211
     9  H    2.817710   2.154373   1.091525   2.095246   3.274998
    10  H    2.142548   1.095497   2.134385   2.811972   2.714916
    11  H    4.032934   3.837381   3.217745   1.884872   0.969689
    12  H    4.581801   3.361753   2.056270   2.715303   3.256026
    13  H    4.109078   2.746882   2.049169   2.670008   2.582408
    14  H    2.773296   2.165494   3.471089   4.687149   5.046606
    15  H    2.755318   2.167517   2.810442   4.165045   4.965476
    16  H    3.472805   2.173155   2.727984   4.188150   4.627594
    17  H    1.090922   2.164677   3.484402   3.935081   4.244480
    18  H    1.091116   2.189679   2.822279   2.593035   2.891626
    19  H    1.092825   2.172861   2.786561   3.203343   4.042045
                    6          7          8          9         10
     6  C    0.000000
     7  N    2.962641   0.000000
     8  O    4.741092   3.422062   0.000000
     9  H    2.713373   2.077738   2.517965   0.000000
    10  H    2.145917   2.653764   3.918362   3.034190   0.000000
    11  H    5.309963   3.762988   2.282986   3.968962   3.609377
    12  H    3.835737   1.012899   3.404120   2.342268   3.616346
    13  H    3.405380   1.013837   3.752978   2.928031   2.504817
    14  H    1.091508   3.925140   5.575191   3.738516   2.471982
    15  H    1.093563   3.413903   4.809486   2.559108   3.059758
    16  H    1.088369   2.591311   5.138304   2.991372   2.510535
    17  H    2.728540   4.628086   4.545533   3.792534   2.502695
    18  H    3.481975   4.141418   3.039330   3.238382   2.482387
    19  H    2.806574   4.163722   3.469579   2.628981   3.059843
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.962347   0.000000
    13  H    3.451806   1.635838   0.000000
    14  H    5.934566   4.851668   4.200493   0.000000
    15  H    5.813757   4.105235   4.083923   1.764728   0.000000
    16  H    5.582674   3.430631   2.999894   1.772053   1.766167
    17  H    4.855189   5.474300   4.822226   2.533317   3.040056
    18  H    3.304678   4.810941   4.279408   3.758710   3.783978
    19  H    4.588659   4.776803   4.664639   3.182354   2.597593
                   16         17         18         19
    16  H    0.000000
    17  H    3.745380   0.000000
    18  H    4.330840   1.761086   0.000000
    19  H    3.792310   1.764386   1.764500   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.72D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.066458   -1.742250    0.058829
      2          6           0        1.144781   -0.237615    0.319196
      3          6           0        0.017403    0.519585   -0.407509
      4          6           0       -1.339934   -0.122015   -0.159849
      5          8           0       -1.699602   -0.061835    1.148390
      6          6           0        2.507306    0.318287   -0.090613
      7          7           0        0.026381    1.937057   -0.047760
      8          8           0       -2.052705   -0.609463   -0.998100
      9          1           0        0.182303    0.443607   -1.483828
     10          1           0        1.004355   -0.066187    1.392046
     11          1           0       -2.578745   -0.464892    1.218746
     12          1           0       -0.631756    2.459844   -0.613015
     13          1           0       -0.239946    2.056537    0.923147
     14          1           0        3.302392   -0.158123    0.485808
     15          1           0        2.698710    0.120238   -1.148924
     16          1           0        2.557607    1.394116    0.066259
     17          1           0        1.885722   -2.256885    0.562881
     18          1           0        0.132400   -2.176666    0.418486
     19          1           0        1.144663   -1.956563   -1.009918
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.8491417           1.5403062           1.2504232
 Leave Link  202 at Sun Sep 26 19:47:55 2021, MaxMem=  6442450944 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   270 symmetry adapted cartesian basis functions of A   symmetry.
 There are   254 symmetry adapted basis functions of A   symmetry.
   254 basis functions,   372 primitive gaussians,   270 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       407.3201849877 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Sun Sep 26 19:47:55 2021, MaxMem=  6442450944 cpu:               4.9 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   254 RedAO= T EigKep=  3.67D-05  NBF=   254
 NBsUse=   254 1.00D-06 EigRej= -1.00D+00 NBFU=   254
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   270   270   270   270   270 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Sun Sep 26 19:47:56 2021, MaxMem=  6442450944 cpu:               2.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Sun Sep 26 19:47:56 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer05_M11-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Sun Sep 26 19:47:56 2021, MaxMem=  6442450944 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6442300239 LenY=  6442226898
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -401.868062691866    
 DIIS: error= 4.15D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -401.868062691866     IErMin= 1 ErrMin= 4.15D-03
 ErrMax= 4.15D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.75D-02 BMatP= 1.75D-02
 IDIUse=3 WtCom= 9.59D-01 WtEn= 4.15D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.440 Goal=   None    Shift=    0.000
 GapD=    0.440 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=5.27D-03 MaxDP=1.59D-01              OVMax= 2.01D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.26D-03    CP:  1.02D+00
 E= -401.885411657884     Delta-E=       -0.017348966018 Rises=F Damp=F
 DIIS: error= 1.43D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -401.885411657884     IErMin= 2 ErrMin= 1.43D-03
 ErrMax= 1.43D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.70D-04 BMatP= 1.75D-02
 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.43D-02
 Coeff-Com:  0.148D-02 0.999D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.146D-02 0.999D+00
 Gap=     0.394 Goal=   None    Shift=    0.000
 RMSDP=1.19D-03 MaxDP=6.22D-02 DE=-1.73D-02 OVMax= 9.10D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.90D-04    CP:  1.02D+00  1.17D+00
 E= -401.886156243142     Delta-E=       -0.000744585258 Rises=F Damp=F
 DIIS: error= 1.19D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -401.886156243142     IErMin= 3 ErrMin= 1.19D-03
 ErrMax= 1.19D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.38D-04 BMatP= 9.70D-04
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.19D-02
 Coeff-Com: -0.630D-01 0.481D+00 0.582D+00
 Coeff-En:   0.000D+00 0.516D-02 0.995D+00
 Coeff:     -0.622D-01 0.476D+00 0.587D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=2.11D-04 MaxDP=9.42D-03 DE=-7.45D-04 OVMax= 3.65D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.56D-04    CP:  1.02D+00  1.20D+00  9.73D-01
 E= -401.886649111712     Delta-E=       -0.000492868570 Rises=F Damp=F
 DIIS: error= 2.26D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -401.886649111712     IErMin= 4 ErrMin= 2.26D-04
 ErrMax= 2.26D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.38D-05 BMatP= 7.38D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.26D-03
 Coeff-Com: -0.178D-01 0.615D-01 0.158D+00 0.799D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.178D-01 0.614D-01 0.157D+00 0.799D+00
 Gap=     0.389 Goal=   None    Shift=    0.000
 RMSDP=7.36D-05 MaxDP=2.75D-03 DE=-4.93D-04 OVMax= 1.52D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.53D-05    CP:  1.02D+00  1.20D+00  1.01D+00  1.14D+00
 E= -401.886672155918     Delta-E=       -0.000023044206 Rises=F Damp=F
 DIIS: error= 9.34D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -401.886672155918     IErMin= 5 ErrMin= 9.34D-05
 ErrMax= 9.34D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.45D-06 BMatP= 2.38D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.225D-02-0.469D-01-0.302D-01 0.348D+00 0.727D+00
 Coeff:      0.225D-02-0.469D-01-0.302D-01 0.348D+00 0.727D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=3.07D-05 MaxDP=7.28D-04 DE=-2.30D-05 OVMax= 8.35D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.40D-05    CP:  1.02D+00  1.20D+00  1.03D+00  1.19D+00  1.07D+00
 E= -401.886678326805     Delta-E=       -0.000006170887 Rises=F Damp=F
 DIIS: error= 2.83D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -401.886678326805     IErMin= 6 ErrMin= 2.83D-05
 ErrMax= 2.83D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.05D-07 BMatP= 6.45D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.294D-02-0.288D-01-0.315D-01 0.843D-01 0.347D+00 0.626D+00
 Coeff:      0.294D-02-0.288D-01-0.315D-01 0.843D-01 0.347D+00 0.626D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=9.55D-06 MaxDP=2.61D-04 DE=-6.17D-06 OVMax= 3.32D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  7.39D-06    CP:  1.02D+00  1.20D+00  1.04D+00  1.20D+00  1.11D+00
                    CP:  1.15D+00
 E= -401.886679184243     Delta-E=       -0.000000857438 Rises=F Damp=F
 DIIS: error= 7.50D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -401.886679184243     IErMin= 7 ErrMin= 7.50D-06
 ErrMax= 7.50D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.29D-08 BMatP= 9.05D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.145D-03 0.198D-02-0.426D-03-0.388D-01-0.481D-01 0.964D-01
 Coeff-Com:  0.989D+00
 Coeff:      0.145D-03 0.198D-02-0.426D-03-0.388D-01-0.481D-01 0.964D-01
 Coeff:      0.989D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=6.30D-06 MaxDP=2.85D-04 DE=-8.57D-07 OVMax= 2.43D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.28D-06    CP:  1.02D+00  1.20D+00  1.03D+00  1.20D+00  1.17D+00
                    CP:  1.32D+00  1.22D+00
 E= -401.886679298886     Delta-E=       -0.000000114643 Rises=F Damp=F
 DIIS: error= 1.97D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -401.886679298886     IErMin= 8 ErrMin= 1.97D-06
 ErrMax= 1.97D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.90D-09 BMatP= 4.29D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.236D-03 0.285D-02 0.296D-02-0.132D-01-0.357D-01-0.496D-01
 Coeff-Com:  0.994D-01 0.994D+00
 Coeff:     -0.236D-03 0.285D-02 0.296D-02-0.132D-01-0.357D-01-0.496D-01
 Coeff:      0.994D-01 0.994D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=2.42D-06 MaxDP=1.35D-04 DE=-1.15D-07 OVMax= 9.67D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.28D-06    CP:  1.02D+00  1.20D+00  1.03D+00  1.20D+00  1.18D+00
                    CP:  1.38D+00  1.33D+00  1.28D+00
 E= -401.886679311872     Delta-E=       -0.000000012986 Rises=F Damp=F
 DIIS: error= 9.10D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -401.886679311872     IErMin= 9 ErrMin= 9.10D-07
 ErrMax= 9.10D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.13D-10 BMatP= 3.90D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.758D-04 0.572D-03 0.848D-03-0.117D-03-0.423D-02-0.238D-01
 Coeff-Com: -0.745D-01 0.269D+00 0.832D+00
 Coeff:     -0.758D-04 0.572D-03 0.848D-03-0.117D-03-0.423D-02-0.238D-01
 Coeff:     -0.745D-01 0.269D+00 0.832D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=7.31D-07 MaxDP=7.71D-05 DE=-1.30D-08 OVMax= 2.94D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.82D-07    CP:  1.02D+00  1.20D+00  1.03D+00  1.20D+00  1.18D+00
                    CP:  1.39D+00  1.35D+00  1.40D+00  1.24D+00
 E= -401.886679313641     Delta-E=       -0.000000001768 Rises=F Damp=F
 DIIS: error= 3.80D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -401.886679313641     IErMin=10 ErrMin= 3.80D-07
 ErrMax= 3.80D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.55D-11 BMatP= 7.13D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.202D-04-0.342D-03-0.300D-03 0.219D-02 0.545D-02 0.370D-02
 Coeff-Com: -0.300D-01-0.116D+00 0.148D+00 0.988D+00
 Coeff:      0.202D-04-0.342D-03-0.300D-03 0.219D-02 0.545D-02 0.370D-02
 Coeff:     -0.300D-01-0.116D+00 0.148D+00 0.988D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=3.69D-07 MaxDP=1.65D-05 DE=-1.77D-09 OVMax= 1.49D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.83D-07    CP:  1.02D+00  1.20D+00  1.03D+00  1.20D+00  1.18D+00
                    CP:  1.39D+00  1.36D+00  1.45D+00  1.45D+00  1.13D+00
 E= -401.886679313940     Delta-E=       -0.000000000299 Rises=F Damp=F
 DIIS: error= 1.47D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -401.886679313940     IErMin=11 ErrMin= 1.47D-07
 ErrMax= 1.47D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.59D-11 BMatP= 9.55D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.157D-04-0.167D-03-0.194D-03 0.608D-03 0.194D-02 0.393D-02
 Coeff-Com:  0.105D-02-0.636D-01-0.687D-01 0.257D+00 0.869D+00
 Coeff:      0.157D-04-0.167D-03-0.194D-03 0.608D-03 0.194D-02 0.393D-02
 Coeff:      0.105D-02-0.636D-01-0.687D-01 0.257D+00 0.869D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=1.02D-07 MaxDP=7.47D-06 DE=-2.99D-10 OVMax= 4.20D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  4.67D-08    CP:  1.02D+00  1.20D+00  1.03D+00  1.20D+00  1.18D+00
                    CP:  1.39D+00  1.35D+00  1.45D+00  1.50D+00  1.24D+00
                    CP:  1.12D+00
 E= -401.886679314005     Delta-E=       -0.000000000066 Rises=F Damp=F
 DIIS: error= 6.04D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -401.886679314005     IErMin=12 ErrMin= 6.04D-08
 ErrMax= 6.04D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.47D-12 BMatP= 1.59D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.952D-06 0.329D-04 0.203D-04-0.283D-03-0.692D-03 0.106D-03
 Coeff-Com:  0.597D-02 0.998D-02-0.425D-01-0.131D+00 0.184D+00 0.974D+00
 Coeff:     -0.952D-06 0.329D-04 0.203D-04-0.283D-03-0.692D-03 0.106D-03
 Coeff:      0.597D-02 0.998D-02-0.425D-01-0.131D+00 0.184D+00 0.974D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=3.88D-08 MaxDP=1.80D-06 DE=-6.56D-11 OVMax= 2.06D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  2.03D-08    CP:  1.02D+00  1.20D+00  1.03D+00  1.20D+00  1.18D+00
                    CP:  1.39D+00  1.35D+00  1.45D+00  1.51D+00  1.26D+00
                    CP:  1.26D+00  1.12D+00
 E= -401.886679314005     Delta-E=        0.000000000001 Rises=F Damp=F
 DIIS: error= 1.56D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -401.886679314005     IErMin=13 ErrMin= 1.56D-08
 ErrMax= 1.56D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.42D-13 BMatP= 2.47D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.201D-05 0.233D-04 0.255D-04-0.967D-04-0.304D-03-0.469D-03
 Coeff-Com:  0.259D-03 0.862D-02 0.662D-02-0.400D-01-0.112D+00 0.495D-01
 Coeff-Com:  0.109D+01
 Coeff:     -0.201D-05 0.233D-04 0.255D-04-0.967D-04-0.304D-03-0.469D-03
 Coeff:      0.259D-03 0.862D-02 0.662D-02-0.400D-01-0.112D+00 0.495D-01
 Coeff:      0.109D+01
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=1.30D-08 MaxDP=5.87D-07 DE= 5.68D-13 OVMax= 8.68D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  7.12D-09    CP:  1.02D+00  1.20D+00  1.03D+00  1.20D+00  1.18D+00
                    CP:  1.39D+00  1.35D+00  1.45D+00  1.51D+00  1.26D+00
                    CP:  1.27D+00  1.26D+00  1.26D+00
 E= -401.886679313991     Delta-E=        0.000000000014 Rises=F Damp=F
 DIIS: error= 4.50D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=12 EnMin= -401.886679314005     IErMin=14 ErrMin= 4.50D-09
 ErrMax= 4.50D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.05D-14 BMatP= 2.42D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.871D-07-0.350D-05-0.232D-05 0.315D-04 0.762D-04 0.993D-06
 Coeff-Com: -0.664D-03-0.123D-02 0.474D-02 0.154D-01-0.231D-01-0.112D+00
 Coeff-Com:  0.244D-01 0.109D+01
 Coeff:      0.871D-07-0.350D-05-0.232D-05 0.315D-04 0.762D-04 0.993D-06
 Coeff:     -0.664D-03-0.123D-02 0.474D-02 0.154D-01-0.231D-01-0.112D+00
 Coeff:      0.244D-01 0.109D+01
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=6.09D-09 MaxDP=3.63D-07 DE= 1.41D-11 OVMax= 2.37D-07

 SCF Done:  E(RM11) =  -401.886679314     A.U. after   14 cycles
            NFock= 14  Conv=0.61D-08     -V/T= 2.0114
 KE= 3.973374965635D+02 PE=-1.750701888256D+03 EE= 5.441575273905D+02
 Leave Link  502 at Sun Sep 26 19:49:24 2021, MaxMem=  6442450944 cpu:             694.8 elap:              87.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   254
 NBasis=   254 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    254 NOA=    32 NOB=    32 NVA=   222 NVB=   222

 **** Warning!!: The largest alpha MO coefficient is  0.35452084D+02

 Leave Link  801 at Sun Sep 26 19:49:24 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5761 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.18D-13 8.33D-09 XBig12= 1.00D+00 2.18D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.18D-13 8.33D-09 XBig12= 1.32D-01 3.85D-02.
     11 vectors produced by pass  2 Test12= 1.18D-13 8.33D-09 XBig12= 1.65D-02 3.27D-02.
     11 vectors produced by pass  3 Test12= 1.18D-13 8.33D-09 XBig12= 1.70D-03 9.65D-03.
     11 vectors produced by pass  4 Test12= 1.18D-13 8.33D-09 XBig12= 8.58D-05 1.79D-03.
     11 vectors produced by pass  5 Test12= 1.18D-13 8.33D-09 XBig12= 3.09D-06 2.64D-04.
     11 vectors produced by pass  6 Test12= 1.18D-13 8.33D-09 XBig12= 9.58D-08 4.65D-05.
     11 vectors produced by pass  7 Test12= 1.18D-13 8.33D-09 XBig12= 2.62D-09 8.19D-06.
     11 vectors produced by pass  8 Test12= 1.18D-13 8.33D-09 XBig12= 4.93D-11 1.12D-06.
     11 vectors produced by pass  9 Test12= 1.18D-13 8.33D-09 XBig12= 7.61D-13 1.28D-07.
      4 vectors produced by pass 10 Test12= 1.18D-13 8.33D-09 XBig12= 1.30D-14 1.38D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.07D-14
 Solved reduced A of dimension   114 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.865441D+02
      2  0.262350D+01  0.782051D+02
      3  0.692416D+00  0.128742D+01  0.727573D+02
 Isotropic polarizability for W=    0.088559       79.17 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.775029D+02 -0.182830D+02  0.535975D+01
      2  -0.317254D+02  0.168348D+02  0.380573D+01
      3  -0.457774D+02  0.144818D+01 -0.916548D+01
      4  -0.239822D+02  0.665157D+02 -0.825876D+01
      5  -0.731307D+00 -0.918605D+01  0.266322D+02
      6  -0.315299D+01 -0.196327D+01 -0.130399D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.151861D+00 -0.471991D+01  0.232964D+01
      2   0.183438D+01 -0.334014D+01  0.216453D+02
      3   0.586983D+01 -0.378875D+02  0.315586D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.927295D+00 -0.576900D+01  0.144881D+02
      2   0.609105D+01 -0.510577D+01  0.724096D+02
      3  -0.569928D+01 -0.982412D+02  0.603307D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.323964D+00  0.761640D+00 -0.951268D+00
      2   0.761640D+00  0.225555D+00  0.831610D+00
      3  -0.951268D+00  0.831610D+00 -0.237732D+00
 OR G Eigenvalues:    -1.8452     0.6489     0.8602  Iso=     0.1120
 Eigenvectors:
   (1)   0.625161  -0.477797   0.617158
   (2)   0.774702   0.283696  -0.565114
   (3)   0.094925   0.831400   0.547506
 w=    0.088559 a.u., Optical Rotation Beta=      0.1120 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =       48.50 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   32385 ScalPx= 9.74D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   32385 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.35D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.97D-14 2.78D-09 XBig12= 1.00D+00 2.90D-01.
     30 vectors produced by pass  1 Test12= 1.97D-14 2.78D-09 XBig12= 4.74D-02 3.45D-02.
     30 vectors produced by pass  2 Test12= 1.97D-14 2.78D-09 XBig12= 1.33D-03 4.52D-03.
     30 vectors produced by pass  3 Test12= 1.97D-14 2.78D-09 XBig12= 2.34D-05 5.17D-04.
     30 vectors produced by pass  4 Test12= 1.97D-14 2.78D-09 XBig12= 2.89D-07 6.78D-05.
     30 vectors produced by pass  5 Test12= 1.97D-14 2.78D-09 XBig12= 3.24D-09 6.68D-06.
     30 vectors produced by pass  6 Test12= 1.97D-14 2.78D-09 XBig12= 2.90D-11 5.58D-07.
     30 vectors produced by pass  7 Test12= 1.97D-14 2.78D-09 XBig12= 2.18D-13 4.51D-08.
      5 vectors produced by pass  8 Test12= 1.97D-14 2.78D-09 XBig12= 1.48D-15 3.77D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   245 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   32385 ScalPx= 3.82D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   32385 ScalPx= 3.82D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   32385 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.47D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.865441D+02  0.262350D+01  0.692416D+00
      2   0.262350D+01  0.782051D+02  0.128742D+01
      3   0.692416D+00  0.128742D+01  0.727573D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.151861D+00 -0.471991D+01  0.232964D+01
      2   0.183438D+01 -0.334014D+01  0.216453D+02
      3   0.586983D+01 -0.378875D+02  0.315586D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.775029D+02 -0.182830D+02  0.535975D+01
      2  -0.317254D+02  0.168348D+02  0.380573D+01
      3  -0.457774D+02  0.144818D+01 -0.916548D+01
      4  -0.239822D+02  0.665157D+02 -0.825876D+01
      5  -0.731307D+00 -0.918605D+01  0.266322D+02
      6  -0.315299D+01 -0.196327D+01 -0.130399D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.103462D+01  0.483213D+01 -0.325290D+01  0.430744D+01 -0.634426D+00
      2   0.483213D+01 -0.103128D+01  0.441294D+00 -0.634426D+00 -0.310877D+01
      3  -0.325290D+01  0.441294D+00 -0.979749D+00  0.315727D+00 -0.122865D+01
                 6             7             8             9            10 
      1   0.315727D+00 -0.362561D+01  0.463307D+00 -0.115795D+01  0.289276D+00
      2  -0.122865D+01  0.463307D+00 -0.179215D+01  0.283178D+01 -0.429823D+01
      3   0.215005D+01 -0.115795D+01  0.283178D+01  0.510858D+01  0.208143D+01
                11            12            13            14            15 
      1  -0.429823D+01  0.208143D+01 -0.572121D+01  0.100000D+01 -0.233692D+00
      2   0.146681D+01 -0.652429D-01  0.100000D+01  0.449172D+01  0.863744D+00
      3  -0.652429D-01  0.140811D+01 -0.233692D+00  0.863744D+00 -0.151380D+01
                16            17            18            19            20 
      1   0.379641D+01 -0.142265D+00  0.192357D+01 -0.108108D+01  0.432062D+01
      2  -0.142265D+00  0.145968D+01 -0.192181D+01  0.432062D+01 -0.674583D-01
      3   0.192357D+01 -0.192181D+01 -0.789548D+01 -0.236687D+01 -0.126667D+00
                21            22            23            24            25 
      1  -0.236687D+01  0.350706D+01 -0.144020D+01 -0.269916D+00 -0.279886D+01
      2  -0.126667D+00 -0.144020D+01 -0.380705D+01 -0.130293D+01  0.163713D+00
      3  -0.941679D+00 -0.269916D+00 -0.130293D+01  0.115346D+01 -0.148978D+01
                26            27            28            29            30 
      1   0.163713D+00 -0.148978D+01  0.736612D+00 -0.996896D-01  0.331901D+01
      2  -0.175243D+01  0.956884D+00 -0.996896D-01  0.215354D+01  0.126278D+01
      3   0.956884D+00  0.643959D+01  0.331901D+01  0.126278D+01  0.237803D+01
                31            32            33            34            35 
      1   0.955791D+00  0.829272D+00  0.143998D+01  0.426684D+01  0.152149D+01
      2   0.829272D+00  0.360671D+00  0.143917D+01  0.152149D+01  0.207307D+01
      3   0.143998D+01  0.143917D+01  0.107712D+01  0.197902D+01  0.567960D+00
                36            37            38            39            40 
      1   0.197902D+01  0.504400D+01  0.168998D+01 -0.749698D+00  0.251801D+01
      2   0.567960D+00  0.168998D+01  0.519059D+00 -0.897196D+00  0.407527D+00
      3   0.386004D+00 -0.749698D+00 -0.897196D+00  0.975051D+00 -0.115796D+01
                41            42            43            44            45 
      1   0.407527D+00 -0.115796D+01  0.628243D+00 -0.367521D+00 -0.807492D+00
      2   0.102951D+01  0.958986D+00 -0.367521D+00  0.174231D+01  0.186197D+00
      3   0.958986D+00  0.759820D+00 -0.807492D+00  0.186197D+00  0.477078D+01
                46            47            48            49            50 
      1   0.230080D+00  0.374992D+01 -0.271702D+01  0.451252D+01 -0.123357D+01
      2   0.374992D+01 -0.522953D+00  0.457082D+00 -0.123357D+01 -0.556799D+01
      3  -0.271702D+01  0.457082D+00 -0.227481D+01  0.616820D+00 -0.142241D+01
                51            52            53            54            55 
      1   0.616820D+00 -0.414608D+01  0.349017D+00 -0.320485D+01  0.264731D+01
      2  -0.142241D+01  0.349017D+00 -0.145164D+01  0.157539D+01 -0.245607D+01
      3   0.176542D+01 -0.320485D+01  0.157539D+01  0.535723D+01  0.125700D+01
                56            57            58            59            60 
      1  -0.245607D+01  0.125700D+01 -0.847758D+00  0.246527D+01 -0.412507D+00
      2   0.245877D+01 -0.603578D+00  0.246527D+01  0.456670D+01  0.112561D+01
      3  -0.603578D+00  0.249412D+01 -0.412507D+00  0.112561D+01 -0.101173D+01
                61            62            63            64            65 
      1   0.177016D+01 -0.750928D+00  0.271862D+01 -0.730598D+01 -0.251232D+01
      2  -0.750928D+00  0.107800D+01 -0.910423D+00 -0.251232D+01 -0.276715D+01
      3   0.271862D+01 -0.910423D+00 -0.322948D+01 -0.406014D+01 -0.104316D+01
                66            67            68            69            70 
      1  -0.406014D+01 -0.307304D+01 -0.221264D+01 -0.111316D+01 -0.523821D+01
      2  -0.104316D+01 -0.221264D+01 -0.305800D+01 -0.269449D+01 -0.152530D+01
      3  -0.338193D+01 -0.111316D+01 -0.269449D+01 -0.188301D+01 -0.375433D+01
                71            72            73            74            75 
      1  -0.152530D+01 -0.375433D+01  0.551092D+00 -0.578676D+00 -0.927764D+00
      2  -0.342300D+01 -0.194447D+01 -0.578676D+00  0.375203D+00  0.218104D-01
      3  -0.194447D+01 -0.688316D+01 -0.927764D+00  0.218104D-01  0.884231D+00
                76            77            78            79            80 
      1  -0.711113D+00  0.234489D+00  0.411938D-01 -0.137485D+01  0.147780D+00
      2   0.234489D+00  0.385367D+00 -0.102834D+01  0.147780D+00 -0.141140D+01
      3   0.411938D-01 -0.102834D+01 -0.313510D+00  0.486306D+00  0.382798D-01
                81            82            83            84            85 
      1   0.486306D+00 -0.753292D+00  0.903734D+00  0.104430D+01  0.998907D+00
      2   0.382798D-01  0.903734D+00 -0.369998D+00 -0.278495D-01 -0.263715D+00
      3  -0.719528D+01  0.104430D+01 -0.278495D-01 -0.493940D+00 -0.286599D-01
                86            87            88            89            90 
      1  -0.263715D+00 -0.286599D-01  0.137686D+01 -0.831242D-01 -0.409948D+00
      2  -0.130702D+00  0.119594D+01 -0.831242D-01  0.161690D+01  0.868500D+00
      3   0.119594D+01  0.928511D+00 -0.409948D+00  0.868500D+00  0.827776D+01
                91            92            93            94            95 
      1  -0.698774D+01 -0.170720D+01  0.274690D+01 -0.248736D+01 -0.140189D+01
      2  -0.170720D+01 -0.134629D+01  0.704430D+00 -0.140189D+01 -0.944816D+00
      3   0.274690D+01  0.704430D+00 -0.225984D+01  0.108295D+01  0.805105D+00
                96            97            98            99           100 
      1   0.108295D+01  0.942861D+00  0.204168D+00 -0.989793D+00 -0.231578D+01
      2   0.805105D+00  0.204168D+00  0.405702D+00 -0.308959D+00  0.268063D+01
      3  -0.979617D+00 -0.989793D+00 -0.308959D+00  0.143733D+01 -0.117121D+01
               101           102           103           104           105 
      1   0.268063D+01 -0.117121D+01  0.218400D+01 -0.230108D+01  0.862200D+00
      2  -0.346657D+01  0.117697D+01 -0.230108D+01  0.440687D+01 -0.133859D+01
      3   0.117697D+01 -0.122689D+01  0.862200D+00 -0.133859D+01  0.116825D+01
               106           107           108           109           110 
      1  -0.190477D+01  0.149280D+01 -0.137024D+01 -0.283743D+00  0.834812D+00
      2   0.149280D+01 -0.276553D+01  0.174267D+01  0.834812D+00 -0.648537D+00
      3  -0.137024D+01  0.174267D+01 -0.173931D+01  0.460375D+00 -0.553791D+00
               111           112           113           114           115 
      1   0.460375D+00  0.615671D+00 -0.262841D+00 -0.411423D+00  0.130898D+01
      2  -0.553791D+00 -0.262841D+00  0.122298D+01  0.859475D+00 -0.587939D+00
      3  -0.971382D+00 -0.411423D+00  0.859475D+00  0.961889D+00 -0.115088D+01
               116           117           118           119           120 
      1  -0.587939D+00 -0.115088D+01  0.728494D+01 -0.175905D+01  0.250046D+01
      2   0.245750D+01  0.199975D+01 -0.175905D+01  0.128851D+01 -0.550598D+00
      3   0.199975D+01  0.517859D+01  0.250046D+01 -0.550598D+00  0.185878D+01
               121           122           123           124           125 
      1  -0.340561D+01  0.172629D+01 -0.803258D+00  0.399429D+01 -0.618277D+00
      2   0.172629D+01 -0.917387D+00  0.935888D+00 -0.618277D+00  0.113419D+01
      3  -0.803258D+00  0.935888D+00 -0.104812D+01  0.250110D+01 -0.837663D+00
               126           127           128           129           130 
      1   0.250110D+01  0.144088D+01 -0.419469D+00 -0.116862D+01 -0.108593D+01
      2  -0.837663D+00 -0.419469D+00  0.263124D+00  0.441474D-01  0.590281D+00
      3   0.173819D+01 -0.116862D+01  0.441474D-01  0.123532D+01  0.275673D+00
               131           132           133           134           135 
      1   0.590281D+00  0.275673D+00 -0.256785D+01 -0.881163D-01  0.270330D+01
      2   0.127985D+00 -0.890802D+00 -0.881163D-01 -0.126061D+01 -0.375709D+00
      3  -0.890802D+00 -0.967137D+00  0.270330D+01 -0.375709D+00 -0.713077D+01
               136           137           138           139           140 
      1   0.283048D+00  0.119511D+01  0.435202D+00  0.235579D+01  0.186744D+01
      2   0.119511D+01  0.102913D+01  0.604285D-01  0.186744D+01  0.800516D+01
      3   0.435202D+00  0.604285D-01  0.302503D+00  0.424887D-01  0.664407D+00
               141           142           143           144           145 
      1   0.424887D-01  0.823841D+00  0.150718D+00  0.739833D+00  0.456394D+01
      2   0.664407D+00  0.150718D+00  0.882771D+00  0.918856D+00 -0.320647D+01
      3   0.997644D+00  0.739833D+00  0.918856D+00 -0.695948D-01  0.184933D+01
               146           147           148           149           150 
      1  -0.320647D+01  0.184933D+01 -0.234069D+01  0.242904D+01 -0.822580D+00
      2   0.344710D+01 -0.109340D+01  0.242904D+01 -0.349105D+01  0.141329D+01
      3  -0.109340D+01  0.157168D+01 -0.822580D+00  0.141329D+01 -0.115617D+01
               151           152           153           154           155 
      1   0.220607D+01 -0.121826D+01  0.158009D+01 -0.562305D+01 -0.220116D+01
      2  -0.121826D+01  0.225292D+01 -0.173310D+01 -0.220116D+01 -0.315815D+01
      3   0.158009D+01 -0.173310D+01  0.142626D+01  0.137512D+01  0.662756D+00
               156           157           158           159           160 
      1   0.137512D+01 -0.165398D+01 -0.204629D+01  0.514713D+00  0.167379D+01
      2   0.662756D+00 -0.204629D+01 -0.244533D+01  0.889475D+00  0.614515D+00
      3  -0.109301D+01  0.514713D+00  0.889475D+00 -0.837625D+00 -0.957390D+00
               161           162           163           164           165 
      1   0.614515D+00 -0.957390D+00  0.244882D+00 -0.968604D+00 -0.654901D+00
      2   0.145481D+01 -0.119037D+01 -0.968604D+00  0.377133D+00  0.129777D+00
      3  -0.119037D+01  0.615000D+00 -0.654901D+00  0.129777D+00  0.515405D+00
               166           167           168           169           170 
      1  -0.628485D+00  0.247029D+00  0.614157D-01 -0.113212D+01  0.274221D+00
      2   0.247029D+00 -0.112588D+01 -0.124489D+01  0.274221D+00 -0.270112D+01
      3   0.614157D-01 -0.124489D+01 -0.125144D+01  0.660790D+00 -0.246378D+01
               171 
      1   0.660790D+00
      2  -0.246378D+01
      3  -0.659225D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.678377D+01  0.810652D+00 -0.175841D+01  0.396986D+00 -0.514120D+01
      2  -0.390927D+01  0.104461D+01  0.845765D+00  0.388242D+00 -0.110568D+01
      3  -0.900130D+01 -0.141163D+02  0.664264D+01 -0.741950D+01  0.538959D+01
                 6             7             8             9            10 
      1   0.265134D+01 -0.258381D+01  0.988550D+01  0.108222D+02 -0.331916D+00
      2   0.246345D+01 -0.326732D+01  0.339167D+01  0.610628D+01  0.327706D+01
      3   0.835130D+00  0.743479D+01  0.675975D+00 -0.135124D+01  0.724638D+01
                11            12            13            14            15 
      1  -0.117763D+00  0.395532D+00 -0.110609D+01  0.238354D+01 -0.317488D+01
      2  -0.295696D-01  0.485452D+01 -0.779722D+00  0.820253D+00 -0.224041D+01
      3  -0.368548D+01  0.201583D+00  0.294494D+01 -0.604736D+01 -0.132650D+01
                16            17            18            19            20 
      1   0.726971D+00  0.368517D+01 -0.264596D+01 -0.130102D+01 -0.187364D+01
      2  -0.221722D+01 -0.255719D+01 -0.104760D+02  0.309420D+01 -0.244951D+00
      3   0.176029D+01 -0.209663D+01  0.244090D+01 -0.156082D+01 -0.386615D+01
                21            22            23            24            25 
      1  -0.183617D+00 -0.127869D+01  0.267349D+01 -0.764090D-01  0.603932D+00
      2   0.737387D+00  0.203109D+01 -0.585296D+00  0.283010D+00 -0.641244D+01
      3  -0.436654D+00  0.137940D+01 -0.459045D+01  0.201764D+01 -0.327216D+01
                26            27            28            29            30 
      1   0.504217D+01 -0.307204D+01 -0.215701D+01 -0.335903D+01  0.342440D+01
      2   0.359269D+00 -0.958093D+00 -0.350148D+01 -0.145206D+00 -0.553249D+00
      3   0.209879D+01 -0.117752D+01 -0.855775D+01  0.564162D+01  0.861004D+00
                31            32            33            34            35 
      1   0.212534D+01 -0.134797D+01 -0.886891D+01  0.158303D+01 -0.546182D+01
      2   0.337297D+01 -0.169745D+01 -0.595100D+01 -0.448516D+00 -0.301377D+01
      3   0.185464D+02  0.119667D+02 -0.650989D+00 -0.679680D+00 -0.219006D+01
                36            37            38            39            40 
      1   0.370684D+01  0.203335D+01 -0.304600D+00 -0.369676D+00  0.298909D+00
      2  -0.271390D+01 -0.388742D+01 -0.103730D+00  0.112466D+01 -0.979077D+00
      3   0.945400D+00  0.336959D+01 -0.775182D+00 -0.161985D+01  0.694617D+00
                41            42            43            44            45 
      1   0.656098D+00 -0.499444D+00  0.567165D-01  0.535003D+01  0.469304D+00
      2  -0.327904D+01 -0.423277D+00 -0.650071D+01 -0.156265D+01 -0.853340D+01
      3   0.460944D+00  0.310455D+01  0.295883D+00  0.275033D+01  0.785275D+00
                46            47            48            49            50 
      1   0.117706D+01  0.449852D+00  0.726202D+00  0.136622D+01  0.192877D+01
      2  -0.938856D+01  0.126750D+01 -0.526414D+01  0.217891D+01 -0.423478D+01
      3  -0.990181D+01  0.134547D+01 -0.231833D+01  0.103630D+02  0.177091D+02
                51            52            53            54            55 
      1  -0.265502D+01  0.144252D+01  0.145273D+01 -0.267432D+01 -0.156374D+01
      2   0.475904D+01 -0.135298D+02  0.397374D+01  0.149437D+02  0.103300D+01
      3   0.369438D+01 -0.354383D+01  0.439072D+01 -0.616262D+01  0.664449D+01
                56            57            58            59            60 
      1   0.299754D+01 -0.718239D+01  0.226383D+01 -0.411060D+01 -0.243419D+01
      2   0.154735D+01  0.428778D+01 -0.340503D-01  0.488570D+00  0.980070D+00
      3  -0.117360D+02  0.183877D+01  0.241918D+01  0.549138D+01 -0.236863D+01
                61            62            63            64            65 
      1  -0.695953D+01  0.774780D+01  0.794849D+01  0.214659D+01  0.616263D+01
      2  -0.192000D+01  0.421219D+00 -0.980115D+00 -0.220035D+00  0.373251D-01
      3   0.347455D+01 -0.201872D+01  0.661416D+01  0.244412D+01 -0.755946D+01
                66            67            68            69            70 
      1  -0.266413D+01 -0.590333D+00  0.249239D+01 -0.135261D+01  0.366644D+00
      2   0.884006D+01 -0.373220D+01  0.392551D+01  0.518010D+01 -0.228865D+01
      3  -0.679516D+00 -0.303285D+01 -0.807444D+01 -0.246584D+01 -0.104298D-01
                71            72            73            74            75 
      1   0.808779D+01 -0.213687D+01  0.103130D+01 -0.339353D+00 -0.317314D+00
      2   0.325412D+01  0.115214D+02  0.609494D+00 -0.495373D+00  0.574575D+00
      3  -0.178918D+01 -0.227956D+01  0.593332D+00 -0.769934D+00 -0.567292D+00
                76            77            78            79            80 
      1  -0.350292D-01  0.414881D+00 -0.186716D+00 -0.595401D+00  0.332542D+01
      2  -0.722168D+00  0.291735D+00 -0.696002D-01 -0.365763D+01  0.249945D+00
      3   0.984175D+00  0.242988D-01 -0.105658D+00 -0.452646D+00  0.107583D+00
                81            82            83            84            85 
      1   0.361294D+01  0.100260D+01 -0.567946D+00 -0.200332D+00 -0.209433D+00
      2   0.780684D+00  0.260175D+01 -0.598223D+00 -0.555761D+00 -0.105215D+01
      3   0.930155D-02 -0.900819D+00 -0.744970D+00 -0.310625D+00  0.127555D+01
                86            87            88            89            90 
      1   0.624497D+00 -0.273696D+00 -0.594833D+00  0.393899D+01  0.238941D+01
      2   0.189824D+01  0.117222D+01 -0.457384D+01  0.147443D+01  0.104610D+02
      3   0.149477D+00 -0.129868D+01 -0.165921D+00 -0.158991D+01 -0.665019D+00
                91            92            93            94            95 
      1  -0.144453D+01 -0.178061D+01  0.154542D-01 -0.127377D+01 -0.137635D+01
      2   0.275023D+01  0.430942D+00  0.270961D+01  0.919186D+00 -0.154917D+00
      3  -0.182593D+01 -0.381405D+01  0.114721D+01 -0.145226D+01 -0.257760D+01
                96            97            98            99           100 
      1  -0.841540D-01  0.580384D+00  0.750881D+00 -0.336239D+00  0.254967D+01
      2   0.120490D+01 -0.465926D+00  0.682348D-01 -0.797616D+00 -0.137871D+01
      3   0.819304D+00  0.560516D+00  0.794049D+00 -0.456938D+00 -0.644740D+01
               101           102           103           104           105 
      1  -0.245562D+01  0.396674D+01 -0.231445D+01  0.224233D+01 -0.335264D+01
      2  -0.418206D-01  0.732941D+00  0.188502D+00 -0.253581D-01 -0.595243D+00
      3   0.464991D+01 -0.292959D+01  0.682075D+01 -0.466577D+01  0.238627D+01
               106           107           108           109           110 
      1   0.333378D+01 -0.234658D+01  0.362394D+01 -0.126554D+01  0.108512D+01
      2  -0.111327D+01 -0.188730D+00  0.372694D+00  0.685256D+00  0.791666D-01
      3  -0.540226D+01  0.322633D+01 -0.356729D+01 -0.797933D+00  0.839345D+00
               111           112           113           114           115 
      1   0.338162D+01  0.943281D+00 -0.237939D+01 -0.255044D+01  0.328868D+01
      2  -0.103702D+00  0.218810D+00 -0.845405D-01 -0.145265D+00 -0.239524D+01
      3   0.889052D+00  0.175508D+01 -0.879156D+00 -0.104257D+01  0.343982D+01
               116           117           118           119           120 
      1  -0.302695D+01 -0.131799D+02 -0.641291D+00  0.689715D+00 -0.282531D-01
      2   0.948990D-01  0.475712D+00  0.663205D+01 -0.190090D+01  0.753575D+01
      3  -0.133135D+01 -0.342570D+01  0.707146D+01 -0.664698D+01  0.287096D+01
               121           122           123           124           125 
      1   0.610072D-02 -0.743831D+00 -0.520095D+00 -0.408955D+00  0.163395D+01
      2  -0.202042D+01  0.261485D+01 -0.402995D+01  0.560475D+01 -0.266672D+01
      3  -0.475431D+01  0.410028D+01 -0.285728D+01  0.299020D+01 -0.454726D+01
               126           127           128           129           130 
      1  -0.963524D-01  0.576763D+00 -0.382489D+00 -0.754894D+00 -0.762912D-01
      2   0.555261D+01 -0.285696D+01  0.817159D-01  0.455984D+01  0.196598D+00
      3   0.341237D+01  0.165229D+01 -0.184308D+01 -0.678607D+00 -0.998241D+00
               131           132           133           134           135 
      1   0.659286D+00 -0.226581D+00 -0.930147D+00  0.322652D+01  0.304288D+01
      2  -0.225563D+01 -0.269329D+01  0.395208D+01 -0.136515D+01 -0.206104D+02
      3  -0.859772D-01  0.218110D+01 -0.463248D+00  0.414300D+01  0.259236D+01
               136           137           138           139           140 
      1  -0.235080D+00 -0.285136D+00 -0.543198D+00 -0.134661D+00 -0.803307D+00
      2   0.135604D+01  0.424833D-01  0.122340D+01 -0.131454D+00  0.211910D+01
      3  -0.347793D+01 -0.215931D+01  0.489794D-01  0.762460D-01 -0.233560D+02
               141           142           143           144           145 
      1  -0.270550D+01 -0.655533D+00  0.422439D+00  0.649735D-01  0.357822D+01
      2   0.339756D+01  0.503820D+00  0.239296D+01 -0.315921D+00  0.110523D+01
      3  -0.199119D+01  0.376612D+00 -0.250708D+01 -0.167582D+01 -0.650171D+01
               146           147           148           149           150 
      1  -0.124845D+01  0.432654D+01 -0.162152D+01  0.220651D+01 -0.351453D+01
      2  -0.104873D+01  0.334107D+01 -0.371100D+00  0.142865D+01 -0.202898D+01
      3   0.116269D+00 -0.268448D+01  0.419923D+01 -0.323447D+00  0.289452D+00
               151           152           153           154           155 
      1   0.311528D+01 -0.170495D+01  0.290671D+01  0.286219D+01  0.451919D+00
      2   0.307158D+00 -0.194369D+01  0.192812D+01  0.301993D+01  0.633281D+00
      3  -0.415577D+01 -0.847654D+00 -0.104940D+01  0.176045D+02  0.541076D+01
               156           157           158           159           160 
      1  -0.327851D+01  0.684848D+00  0.121199D+01 -0.260447D+01 -0.230693D+01
      2   0.379355D+00  0.629183D+00  0.114783D+01 -0.128137D-01 -0.266550D+01
      3  -0.385678D+01  0.739000D+01  0.599909D+01 -0.207478D+01 -0.482860D+01
               161           162           163           164           165 
      1  -0.962870D+00  0.115269D+01 -0.123385D+01  0.672124D-01  0.104423D+01
      2  -0.111058D+01  0.459494D+00 -0.677600D+00  0.922550D-01  0.112140D+01
      3  -0.217951D+01  0.321272D+01  0.103162D+01  0.604556D+00  0.937039D+00
               166           167           168           169           170 
      1   0.210574D+00 -0.223925D+01 -0.396233D+01  0.125282D+01 -0.193721D+01
      2  -0.301154D+00 -0.131204D+01 -0.125053D+01 -0.218545D+01 -0.258906D+01
      3   0.208227D+01  0.626519D+00  0.119842D+01  0.264186D+01  0.291058D+01
               171 
      1  -0.149542D+02
      2  -0.756047D+01
      3   0.179862D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.954862D+01  0.107910D+02 -0.755589D+01  0.896379D+01 -0.109369D+02
      2  -0.169566D+02 -0.374113D+01  0.299202D+01 -0.306986D+01  0.144276D+02
      3   0.740797D+01 -0.704988D+01  0.456387D+01 -0.589393D+01 -0.349064D+01
      4   0.757768D+01 -0.206869D+02  0.131775D+02 -0.177103D+02 -0.308971D+01
      5  -0.706797D+01  0.598855D+01 -0.495384D+01  0.408176D+01 -0.360449D+01
      6   0.159325D+02 -0.188039D+01  0.408450D+01 -0.168744D+01  0.758189D+01
                 6             7             8             9            10 
      1  -0.847932D+00 -0.835307D+01  0.172566D+00  0.487161D+01 -0.115632D+02
      2   0.522054D+01  0.238718D+01  0.640150D+01 -0.499513D+01  0.869597D+01
      3  -0.437261D+01  0.596590D+01 -0.657407D+01  0.123526D+00  0.286720D+01
      4  -0.406655D+01  0.128525D+02 -0.591939D+01  0.968985D+01 -0.122911D+02
      5   0.552084D+01 -0.583857D+01  0.745084D+01  0.118824D+02  0.553086D+01
      6  -0.898988D+01  0.498946D+01 -0.130808D+02 -0.191122D+02 -0.235098D+01
                11            12            13            14            15 
      1  -0.132111D+02  0.408024D+01 -0.158292D+02  0.974552D+01  0.180528D+01
      2   0.676156D+01 -0.437387D+01  0.932569D+01 -0.110758D+02  0.145946D+00
      3   0.644951D+01  0.293625D+00  0.650347D+01  0.133031D+01 -0.195123D+01
      4   0.458161D+01 -0.112018D+01  0.498922D+01  0.907778D+01  0.211927D+01
      5  -0.948921D-01  0.311281D+01 -0.759376D-01  0.199042D+01 -0.436667D+01
      6   0.436985D+00 -0.106215D+01  0.913045D+00 -0.204540D+01  0.592226D+00
                16            17            18            19            20 
      1   0.884826D+01  0.243181D+01  0.984687D+01 -0.119908D+02 -0.288005D+01
      2  -0.482089D+01  0.825742D-02  0.640258D+01  0.122226D+02  0.586623D+01
      3  -0.402737D+01 -0.244007D+01 -0.162494D+02 -0.231809D+00 -0.298617D+01
      4  -0.160067D+01  0.259631D+01 -0.442784D+01  0.266282D+01  0.166119D+01
      5   0.695442D+01 -0.385619D+01 -0.181697D+02  0.521935D+01  0.725361D+00
      6  -0.560376D+00  0.396941D+01  0.398337D+00  0.103984D+01 -0.347833D+00
                21            22            23            24            25 
      1   0.147530D+01  0.579262D+01  0.929432D+01  0.469911D+01 -0.369650D+01
      2  -0.264945D+01 -0.499415D+01 -0.172872D+02 -0.237588D+01 -0.277014D+00
      3   0.117416D+01 -0.798465D+00  0.799289D+01 -0.232324D+01  0.397351D+01
      4   0.201224D+01 -0.863077D+01  0.111362D+00  0.110203D+01  0.854508D+00
      5   0.154233D-01  0.259144D+01  0.366518D+01  0.336143D+00  0.345297D+00
      6   0.360922D+00  0.129499D+01 -0.478103D+00 -0.214210D+01 -0.282387D+00
                26            27            28            29            30 
      1   0.353156D+01  0.610637D+01 -0.952954D+01  0.472745D-01 -0.675902D+01
      2  -0.429454D+01  0.817333D+01  0.958802D+01 -0.240482D+00  0.582050D+01
      3   0.762980D+00 -0.142797D+02 -0.584738D-01  0.193208D+00  0.938524D+00
      4  -0.245436D+01  0.217462D+00 -0.530752D+01 -0.539642D+01 -0.592660D+01
      5   0.824293D+00  0.222446D+01 -0.166578D+02 -0.673117D+01 -0.182888D+02
      6   0.162944D+01  0.599360D+01 -0.445029D+01 -0.333387D+01 -0.548463D+01
                31            32            33            34            35 
      1  -0.407422D+01 -0.313663D+01 -0.362210D+01 -0.181225D+02 -0.667333D+01
      2   0.697083D+00  0.503095D+01  0.479392D+01  0.803513D+01 -0.709677D+00
      3   0.337713D+01 -0.189431D+01 -0.117182D+01  0.100874D+02  0.738300D+01
      4   0.301049D+01 -0.970643D+01 -0.262829D+01 -0.113260D+02 -0.522808D+01
      5  -0.100587D+02 -0.579521D+01 -0.104819D+02 -0.191074D+02 -0.316708D+01
      6  -0.128948D+01 -0.516362D+01  0.238710D+00 -0.567775D+00 -0.853538D+01
                36            37            38            39            40 
      1  -0.335200D+01 -0.152744D+02 -0.697993D+01  0.330063D+01 -0.110781D+02
      2   0.695381D+01  0.670945D+01  0.286798D+01 -0.689920D+00  0.671808D+01
      3  -0.360181D+01  0.856498D+01  0.411195D+01 -0.261071D+01  0.436000D+01
      4  -0.326508D+01 -0.108014D+02  0.486862D+00  0.498446D+01  0.153702D+00
      5  -0.578570D+01  0.924926D+01  0.708412D+01  0.187000D+01  0.849196D+01
      6  -0.257716D+01  0.516448D+01  0.609053D+00 -0.182099D+01  0.176667D+01
                41            42            43            44            45 
      1  -0.576319D+01  0.479213D+01  0.941161D+00  0.892109D+00 -0.112778D+02
      2   0.490106D+01 -0.400422D+01  0.391530D+01  0.235953D+01 -0.109996D+02
      3   0.862130D+00 -0.787908D+00 -0.485646D+01 -0.325164D+01  0.222773D+02
      4  -0.367115D+01 -0.424151D+01  0.407238D+01 -0.369815D+01 -0.306349D+01
      5  -0.289424D+01 -0.387827D+01  0.110717D+02 -0.237402D+01 -0.200816D+02
      6   0.138968D+01  0.602818D+01 -0.225537D+01  0.862782D+01 -0.159380D+01
                46            47            48            49            50 
      1  -0.113772D+01  0.217868D+02 -0.176631D+02  0.256754D+02 -0.306600D+01
      2   0.158800D+01 -0.131859D+02  0.844508D+01 -0.166920D+02 -0.498061D+01
      3  -0.450282D+00 -0.860095D+01  0.921804D+01 -0.898339D+01  0.804661D+01
      4   0.216856D+02 -0.290947D+01  0.233910D+01 -0.654297D+01 -0.255269D+02
      5  -0.194092D+02  0.314215D+01 -0.137278D+02  0.403604D+01 -0.907159D+01
      6  -0.356760D-01 -0.318189D+00  0.274382D+00 -0.144579D+01 -0.228870D+01
                51            52            53            54            55 
      1   0.568284D+01 -0.230788D+02  0.344677D+01 -0.123402D+02  0.157913D+02
      2  -0.308379D+01  0.945052D+01 -0.178229D+01  0.144617D+02 -0.145996D+02
      3  -0.259905D+01  0.136283D+02 -0.166448D+01 -0.212158D+01 -0.119172D+01
      4  -0.722489D+01  0.309456D+01 -0.616790D+01  0.820552D+01  0.785185D+01
      5   0.103185D+02 -0.200905D+02  0.895828D+01  0.279498D+02 -0.215949D+01
      6   0.997225D+00  0.725168D-01 -0.553251D+00  0.157068D+01  0.527849D+01
                56            57            58            59            60 
      1  -0.473221D+01  0.332670D+00 -0.675347D+01 -0.179752D+02 -0.374133D+01
      2   0.930278D+01 -0.236267D+01  0.122977D+02  0.303968D+02  0.486771D+01
      3  -0.457057D+01  0.203000D+01 -0.554421D+01 -0.124216D+02 -0.112639D+01
      4  -0.504822D+01  0.386727D+01  0.206025D+01  0.114657D+02 -0.361128D+01
      5   0.201327D+01  0.118947D+01  0.178220D+00 -0.338132D+01  0.158276D+01
      6  -0.430671D+01  0.114714D+02 -0.459489D+01  0.544051D+01  0.109141D+01
                61            62            63            64            65 
      1   0.173103D+01 -0.839685D+00  0.196837D+01  0.390510D+02  0.811553D+01
      2  -0.246632D+01  0.512186D+01 -0.249465D+01 -0.250884D+02 -0.375220D+01
      3   0.735288D+00 -0.428217D+01  0.526281D+00 -0.139626D+02 -0.436333D+01
      4   0.429176D+01 -0.351777D+01  0.973934D+01  0.129485D+02  0.157204D+02
      5   0.203675D+01  0.329746D+01  0.354743D+00  0.273885D+02  0.642545D+01
      6   0.130817D+02 -0.186041D+01 -0.127057D+02  0.489827D+01  0.632980D+01
                66            67            68            69            70 
      1   0.128172D+02  0.567930D+01  0.887525D-01 -0.493274D+00  0.167722D+02
      2  -0.114766D+02 -0.860049D+00  0.635798D+01  0.269983D+00 -0.158237D+02
      3  -0.134064D+01 -0.481925D+01 -0.644673D+01  0.223290D+00 -0.948542D+00
      4   0.640873D+01  0.170346D+02  0.170468D+02  0.109799D+02  0.824890D+01
      5   0.275516D+02  0.825779D+01  0.125060D+02  0.111746D+02  0.280335D+02
      6   0.495015D+01  0.485312D+01  0.885702D+01  0.113313D+02  0.499823D+01
                71            72            73            74            75 
      1   0.219167D+01  0.141974D+01  0.936305D+00 -0.109469D+00  0.172548D+00
      2  -0.263469D+01 -0.144299D+02 -0.424414D+01  0.706906D-01  0.132106D+01
      3   0.443020D+00  0.130102D+02  0.330783D+01  0.387781D-01 -0.149361D+01
      4   0.106242D+02  0.748206D+01  0.546909D+00  0.132830D+01 -0.115247D+01
      5   0.922262D+01  0.344792D+02 -0.218103D+01 -0.259254D+00  0.588533D+01
      6   0.122399D+02  0.869080D+01 -0.123340D+01 -0.669366D+00  0.731401D+00
                76            77            78            79            80 
      1   0.122441D+00 -0.395409D+01 -0.149807D+00  0.575155D+00  0.151589D+01
      2   0.228310D+00  0.106416D+01 -0.153444D+01  0.184679D+01 -0.216708D+01
      3  -0.350751D+00  0.288993D+01  0.168425D+01 -0.242195D+01  0.651192D+00
      4   0.170670D+01 -0.121677D+00 -0.494732D+00 -0.627489D+00 -0.939962D-01
      5   0.806104D-02 -0.963825D+00 -0.527155D+00  0.434312D+01  0.273913D+00
      6  -0.485315D+00 -0.469299D+00  0.548908D+01  0.258806D+00  0.406676D+01
                81            82            83            84            85 
      1  -0.152022D+02  0.128703D+01  0.228139D+01  0.284356D+01  0.280823D+01
      2  -0.138615D+02 -0.433268D+01 -0.824925D+00 -0.493143D-02 -0.149065D+01
      3   0.290637D+02  0.304565D+01 -0.145646D+01 -0.283863D+01 -0.131758D+01
      4   0.867744D+00  0.216013D+01  0.643240D+00  0.705418D-01  0.100557D+01
      5  -0.304746D+01  0.969496D+00  0.255876D+00  0.474041D+01  0.827185D-01
      6  -0.721387D+01  0.967332D-01 -0.354202D+00 -0.325741D+00 -0.248919D+00
                86            87            88            89            90 
      1  -0.467515D+01 -0.135073D+01  0.423682D+01 -0.763739D+00 -0.167405D+02
      2   0.121934D+01 -0.129224D+01 -0.139332D+01 -0.235314D+01 -0.150608D+02
      3   0.345581D+01  0.264297D+01 -0.284349D+01  0.311688D+01  0.318013D+02
      4  -0.438408D+00  0.233101D+01  0.459840D+00  0.290250D+01  0.234862D+01
      5   0.250663D+01  0.185949D+01  0.297071D+01  0.180396D+01  0.174038D+02
      6   0.170271D+01  0.639332D+01  0.369839D-01  0.390498D+01  0.759827D-01
                91            92            93            94            95 
      1   0.329675D+02  0.725752D+01 -0.107140D+02  0.907861D+01  0.427251D+01
      2  -0.190231D+02 -0.376522D+01  0.806323D+01 -0.416463D+01 -0.982544D+00
      3  -0.139444D+02 -0.349230D+01  0.265072D+01 -0.491397D+01 -0.328997D+01
      4   0.974675D+01  0.678601D+01 -0.396757D+01  0.932394D+01  0.562175D+01
      5  -0.217869D+02 -0.551457D+01  0.136706D+02 -0.802983D+01 -0.510497D+01
      6  -0.488278D+01 -0.306756D+01  0.275296D+01 -0.382591D+01 -0.268759D+01
                96            97            98            99           100 
      1  -0.345237D+01 -0.134552D+01  0.464365D-02  0.251446D+01 -0.221220D+01
      2   0.256704D+01  0.330855D+01  0.784974D+00 -0.387868D+01  0.821179D+01
      3   0.885327D+00 -0.196303D+01 -0.789618D+00  0.136422D+01 -0.599959D+01
      4  -0.391514D+01 -0.881156D+00 -0.102154D+01  0.152771D+01 -0.115426D+02
      5   0.544175D+01  0.727386D+01  0.186581D+01 -0.738718D+01  0.343158D+01
      6   0.293367D+01  0.120824D+01  0.148421D+01 -0.167367D+01 -0.689207D+01
               101           102           103           104           105 
      1   0.697339D+01 -0.199971D+01  0.449773D+01 -0.108863D+02  0.345821D+01
      2  -0.144842D+02  0.385698D+01 -0.967193D+01  0.200155D+02 -0.614786D+01
      3   0.751084D+01 -0.185727D+01  0.517420D+01 -0.912914D+01  0.268966D+01
      4   0.153105D+02 -0.607607D+01  0.122056D+02 -0.122798D+02  0.472845D+01
      5  -0.315502D+01  0.361874D+01 -0.141472D+01  0.265193D+01 -0.162168D+01
      6   0.810037D+01 -0.724216D+01  0.593106D+01 -0.911635D+01  0.745344D+01
               106           107           108           109           110 
      1  -0.314950D+01  0.659689D+01 -0.535535D+01 -0.180217D+01  0.176238D+01
      2   0.431664D+01 -0.915685D+01  0.458755D+01  0.240105D+01 -0.261097D+01
      3  -0.116714D+01  0.255996D+01  0.767804D+00 -0.598884D+00  0.848593D+00
      4  -0.769243D+01  0.723877D+01 -0.644629D+01 -0.130489D+01  0.449459D+01
      5   0.356761D+01 -0.305725D+01  0.321634D+01 -0.139284D+01  0.997295D+00
      6  -0.764258D+01  0.111313D+02 -0.926085D+01  0.165417D+01 -0.339256D+01
               111           112           113           114           115 
      1   0.163225D+01  0.601111D+00 -0.405142D+01 -0.253465D+01  0.119821D+01
      2  -0.149603D+01 -0.101018D+01  0.538014D+01  0.348913D+01 -0.106541D+01
      3  -0.136223D+00  0.409068D+00 -0.132872D+01 -0.954471D+00 -0.132795D+00
      4   0.198902D+01  0.377989D+01 -0.178323D+01 -0.221027D+01  0.458040D+01
      5   0.259216D+01  0.310650D+00 -0.113906D+01 -0.106811D+01  0.250388D+01
      6  -0.510681D+01 -0.245812D+01  0.422618D+01  0.675446D+01 -0.539797D+01
               116           117           118           119           120 
      1  -0.741853D+01 -0.914804D+01  0.536936D+02 -0.115924D+02  0.167506D+02
      2   0.827902D+01  0.199492D+01 -0.294718D+02  0.605645D+01 -0.100281D+02
      3  -0.860484D+00  0.715312D+01 -0.242219D+02  0.553595D+01 -0.672248D+01
      4  -0.321096D+01 -0.407101D+01 -0.113924D+02  0.101959D+02 -0.362981D+01
      5  -0.163461D+01 -0.351565D+01  0.196911D+02 -0.435042D+01  0.151944D+02
      6   0.106503D+02  0.229539D+02 -0.224711D+00  0.743929D+00 -0.106839D+00
               121           122           123           124           125 
      1  -0.208038D+02  0.840730D+01 -0.466330D+01  0.237902D+02 -0.330379D+01
      2   0.111054D+02 -0.239441D+01  0.290479D+01 -0.147042D+02  0.218606D+01
      3   0.969848D+01 -0.601290D+01  0.175851D+01 -0.908603D+01  0.111773D+01
      4   0.128805D+02 -0.775482D+01  0.603372D+01 -0.430418D+01  0.715181D+01
      5  -0.648336D+01  0.626253D+01 -0.764509D+01  0.194776D+02 -0.583368D+01
      6   0.153290D+01 -0.143896D+01  0.181970D+01 -0.614461D+00  0.211595D+01
               126           127           128           129           130 
      1   0.122076D+02  0.896718D+01 -0.268957D+01 -0.651606D+01 -0.598439D+01
      2  -0.110090D+02 -0.760445D+01  0.181750D+01  0.546917D+01  0.392307D+01
      3  -0.119861D+01 -0.136273D+01  0.872074D+00  0.104689D+01  0.206132D+01
      4  -0.502610D+01 -0.235188D+01  0.259035D+01  0.151047D+00  0.435209D+01
      5   0.136599D+02 -0.833404D+01  0.515692D+00  0.125181D+02  0.217487D+01
      6  -0.119584D+01  0.120441D-01 -0.192429D+00  0.611347D+00 -0.149033D+01
               131           132           133           134           135 
      1   0.416876D+00  0.574082D-01 -0.121841D+02 -0.105562D+01  0.306575D+01
      2  -0.332381D+00 -0.131908D+01  0.111154D+02 -0.146517D+00 -0.176124D+02
      3  -0.844947D-01  0.126167D+01  0.106871D+01  0.120214D+01  0.145466D+02
      4   0.301307D+00 -0.507260D+01 -0.735737D+00 -0.705011D+01 -0.276538D+01
      5  -0.481203D+01 -0.539168D+01  0.204944D+02 -0.259426D+01 -0.416070D+02
      6   0.128361D+01  0.403338D+01  0.381947D+00  0.437159D+01 -0.187761D+01
               136           137           138           139           140 
      1   0.201774D+01  0.462635D+01  0.267716D+01  0.111333D+02 -0.135197D+01
      2   0.186604D+01  0.721884D-01 -0.120961D+01 -0.290796D+01  0.162181D+02
      3  -0.388377D+01 -0.469854D+01 -0.146755D+01 -0.822532D+01 -0.148662D+02
      4   0.610444D+01  0.104350D+02  0.640844D+00  0.154738D+02  0.407696D+02
      5   0.263222D+01  0.328583D+00  0.252662D+01  0.225230D+00  0.451960D+01
      6   0.360478D+00 -0.724099D-01  0.614087D+00  0.677473D+00  0.213011D+01
               141           142           143           144           145 
      1  -0.104703D+01  0.456690D+01 -0.843340D+00  0.816143D+00  0.135897D+02
      2   0.155700D+01 -0.213160D+01  0.118622D+01 -0.773529D+00  0.104340D+01
      3  -0.509966D+00 -0.243530D+01 -0.342878D+00 -0.426136D-01 -0.146331D+02
      4   0.367174D+01  0.120761D+01  0.415563D+01  0.439951D+01 -0.270098D+02
      5   0.620936D+01  0.528396D+01  0.506411D+01 -0.483587D+00  0.932103D+01
      6   0.461649D+01  0.135497D+01  0.542390D+01  0.146244D+01 -0.952495D+01
               146           147           148           149           150 
      1  -0.297627D+01  0.345679D+01 -0.182917D+01 -0.274954D+01  0.170381D+01
      2  -0.901913D+01 -0.223580D+00 -0.732807D+01  0.147942D+02 -0.515833D+01
      3   0.119954D+02 -0.323321D+01  0.915724D+01 -0.120447D+02  0.345452D+01
      4   0.239773D+02 -0.103159D+02  0.186789D+02 -0.203576D+02  0.752443D+01
      5  -0.576653D+01  0.823897D+01 -0.389794D+01  0.579391D+01 -0.440383D+01
      6   0.700096D+01 -0.861419D+01  0.557028D+01 -0.914194D+01  0.794873D+01
               151           152           153           154           155 
      1   0.424224D+01  0.259102D+01 -0.784096D+00 -0.820112D+01 -0.130807D+02
      2  -0.785118D+00 -0.688207D+01  0.101736D+01  0.998599D+01  0.168241D+02
      3  -0.345713D+01  0.429105D+01 -0.233266D+00 -0.178487D+01 -0.374333D+01
      4  -0.117559D+02  0.108150D+02 -0.100897D+02  0.162899D+02  0.814699D+01
      5   0.871999D+01 -0.675640D+01  0.731174D+01 -0.126736D+01 -0.141560D+01
      6  -0.823336D+01  0.105611D+02 -0.796111D+01 -0.718381D+01 -0.464218D+01
               156           157           158           159           160 
      1   0.433493D+01 -0.913298D+01 -0.110756D+02  0.351666D+01  0.468522D+01
      2  -0.312753D+01  0.118777D+02  0.160371D+02 -0.458237D+01 -0.271912D+01
      3  -0.120740D+01 -0.274476D+01 -0.496149D+01  0.106571D+01 -0.196609D+01
      4  -0.489154D+01  0.843522D+01  0.616589D+01 -0.142339D+01 -0.549435D+01
      5   0.193393D+01 -0.606264D+00 -0.165371D+00 -0.274092D+00  0.265146D+01
      6   0.604822D+01 -0.359372D+01 -0.552901D+01  0.569604D+01  0.494965D+01
               161           162           163           164           165 
      1   0.527456D+01 -0.561530D+01 -0.746694D+00 -0.189193D+01 -0.174292D+01
      2  -0.649386D+01  0.338665D+01  0.131229D+01  0.235703D+00  0.121262D+01
      3   0.121930D+01  0.222864D+01 -0.565596D+00  0.165623D+01  0.530294D+00
      4  -0.670486D+00  0.186856D+01 -0.294957D+01  0.588788D+01  0.272682D+01
      5  -0.674455D+00 -0.167041D+01 -0.248441D+01  0.109853D+01  0.506915D+01
      6   0.736159D+01 -0.361502D+01  0.234163D+01 -0.643385D+00 -0.213586D+01
               166           167           168           169           170 
      1  -0.616226D+00 -0.474003D+01 -0.467120D+01 -0.211899D+01 -0.860974D+01
      2  -0.485502D+00  0.548359D+01  0.539871D+01  0.134959D+01  0.943503D+01
      3   0.110173D+01 -0.743566D+00 -0.727511D+00  0.769403D+00 -0.825291D+00
      4   0.433767D+01 -0.320701D+01 -0.290946D+01  0.475549D+01 -0.645150D+01
      5   0.128020D+00 -0.296404D+01 -0.278492D+01  0.585223D+01 -0.618984D+01
      6  -0.727195D+00  0.703467D+01  0.104719D+02 -0.315469D+01  0.146967D+02
               171 
      1  -0.115064D+02
      2  -0.367558D+00
      3   0.118740D+02
      4  -0.719152D+01
      5  -0.160417D+02
      6   0.289285D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sun Sep 26 20:02:27 2021, MaxMem=  6442450944 cpu:            6247.0 elap:             783.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.52160 -19.46778 -14.61216 -10.58574 -10.48559
 Alpha  occ. eigenvalues --  -10.45083 -10.43133 -10.42372  -1.25076  -1.14925
 Alpha  occ. eigenvalues --   -1.03837  -0.93557  -0.84008  -0.81464  -0.75157
 Alpha  occ. eigenvalues --   -0.70791  -0.63270  -0.62200  -0.60892  -0.60450
 Alpha  occ. eigenvalues --   -0.58104  -0.54212  -0.54016  -0.50948  -0.50284
 Alpha  occ. eigenvalues --   -0.49244  -0.45640  -0.45347  -0.44436  -0.43483
 Alpha  occ. eigenvalues --   -0.42306  -0.35905
 Alpha virt. eigenvalues --    0.03067   0.06236   0.06889   0.07287   0.07530
 Alpha virt. eigenvalues --    0.09141   0.09964   0.10777   0.12136   0.12954
 Alpha virt. eigenvalues --    0.14141   0.15667   0.16105   0.17190   0.17760
 Alpha virt. eigenvalues --    0.18068   0.19261   0.20477   0.20980   0.21599
 Alpha virt. eigenvalues --    0.22434   0.23435   0.24974   0.25609   0.26220
 Alpha virt. eigenvalues --    0.27287   0.28214   0.28853   0.29316   0.30072
 Alpha virt. eigenvalues --    0.31496   0.31699   0.32812   0.33611   0.34297
 Alpha virt. eigenvalues --    0.34851   0.35056   0.35882   0.36838   0.37489
 Alpha virt. eigenvalues --    0.37821   0.38037   0.39597   0.39837   0.40324
 Alpha virt. eigenvalues --    0.40596   0.41276   0.41761   0.42122   0.42970
 Alpha virt. eigenvalues --    0.43300   0.43926   0.44611   0.44786   0.46003
 Alpha virt. eigenvalues --    0.46606   0.47365   0.47586   0.48136   0.48610
 Alpha virt. eigenvalues --    0.50352   0.51037   0.51408   0.52198   0.53497
 Alpha virt. eigenvalues --    0.54140   0.54465   0.54705   0.55506   0.55846
 Alpha virt. eigenvalues --    0.56484   0.57935   0.58409   0.59601   0.60192
 Alpha virt. eigenvalues --    0.60726   0.61668   0.62343   0.63210   0.63424
 Alpha virt. eigenvalues --    0.63962   0.64478   0.66133   0.67469   0.68514
 Alpha virt. eigenvalues --    0.69080   0.69283   0.70501   0.71779   0.72438
 Alpha virt. eigenvalues --    0.73791   0.74403   0.75506   0.76436   0.77419
 Alpha virt. eigenvalues --    0.78372   0.79614   0.81252   0.81728   0.82574
 Alpha virt. eigenvalues --    0.84178   0.86018   0.86984   0.88696   0.92336
 Alpha virt. eigenvalues --    0.92994   0.96506   0.99230   0.99919   1.03663
 Alpha virt. eigenvalues --    1.05312   1.06445   1.08213   1.09632   1.09945
 Alpha virt. eigenvalues --    1.10868   1.11477   1.13170   1.15058   1.16733
 Alpha virt. eigenvalues --    1.18215   1.18464   1.21658   1.23769   1.26275
 Alpha virt. eigenvalues --    1.29568   1.30501   1.31538   1.36530   1.38264
 Alpha virt. eigenvalues --    1.39773   1.41057   1.43232   1.45989   1.46696
 Alpha virt. eigenvalues --    1.50129   1.51493   1.51717   1.54899   1.60729
 Alpha virt. eigenvalues --    1.62290   1.64615   1.66299   1.70420   1.71867
 Alpha virt. eigenvalues --    1.73045   1.75093   1.76051   1.80050   1.81370
 Alpha virt. eigenvalues --    1.83610   1.86466   1.88085   1.89424   1.93164
 Alpha virt. eigenvalues --    1.93454   1.94810   1.97130   1.98324   1.99212
 Alpha virt. eigenvalues --    2.01278   2.05430   2.06609   2.07695   2.08628
 Alpha virt. eigenvalues --    2.09774   2.10794   2.11861   2.13784   2.16076
 Alpha virt. eigenvalues --    2.17694   2.18444   2.20985   2.22069   2.24226
 Alpha virt. eigenvalues --    2.24984   2.25758   2.28051   2.29322   2.33961
 Alpha virt. eigenvalues --    2.34817   2.35995   2.38400   2.40623   2.42748
 Alpha virt. eigenvalues --    2.45617   2.48472   2.50014   2.51750   2.55921
 Alpha virt. eigenvalues --    2.62415   2.65148   2.67667   2.71485   2.73543
 Alpha virt. eigenvalues --    2.75011   2.76137   2.77533   2.86131   2.93919
 Alpha virt. eigenvalues --    2.95197   2.96141   3.00051   3.05769   3.06753
 Alpha virt. eigenvalues --    3.07628   3.10408   3.11239   3.15329   3.17533
 Alpha virt. eigenvalues --    3.22250   3.23467   3.26813   3.30135   3.31593
 Alpha virt. eigenvalues --    3.36112   3.45427   3.48545   3.67116   3.69921
 Alpha virt. eigenvalues --    3.89262   4.00006
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.335932   0.403179  -0.056880  -0.096560   0.021602  -0.043283
     2  C    0.403179   5.881721   0.355883   0.008905  -0.077098   0.329847
     3  C   -0.056880   0.355883   5.769906   0.178458  -0.278627  -0.070301
     4  C   -0.096560   0.008905   0.178458   5.449343   0.221959   0.026423
     5  O    0.021602  -0.077098  -0.278627   0.221959   8.184819   0.011814
     6  C   -0.043283   0.329847  -0.070301   0.026423   0.011814   4.300868
     7  N    0.031794  -0.301774  -0.001007  -0.126210   0.034597  -0.012101
     8  O    0.015445   0.004774  -0.095919   0.409784   0.015207  -0.000200
     9  H    0.000644  -0.049901   0.009279  -0.043075   0.016417   0.006690
    10  H   -0.055392   0.314481   0.144621  -0.020635  -0.086658  -0.081368
    11  H   -0.004306   0.008993   0.037240   0.072785   0.124664  -0.000502
    12  H   -0.003265   0.057608   0.152583   0.052487  -0.021325  -0.001509
    13  H    0.001056   0.028676   0.147593  -0.030488  -0.009923  -0.000080
    14  H   -0.006806   0.116513   0.015328  -0.007533   0.001300   0.184951
    15  H   -0.012856   0.147315   0.023904  -0.002852  -0.000572   0.121129
    16  H    0.006542   0.025970  -0.056599   0.004432   0.000603   0.389365
    17  H    0.187360   0.098486   0.022463  -0.001807   0.003397  -0.011305
    18  H    0.392004  -0.030406  -0.094811  -0.064308   0.039698   0.021234
    19  H    0.158924   0.144068   0.013965   0.031451  -0.008812  -0.024760
               7          8          9         10         11         12
     1  C    0.031794   0.015445   0.000644  -0.055392  -0.004306  -0.003265
     2  C   -0.301774   0.004774  -0.049901   0.314481   0.008993   0.057608
     3  C   -0.001007  -0.095919   0.009279   0.144621   0.037240   0.152583
     4  C   -0.126210   0.409784  -0.043075  -0.020635   0.072785   0.052487
     5  O    0.034597   0.015207   0.016417  -0.086658   0.124664  -0.021325
     6  C   -0.012101  -0.000200   0.006690  -0.081368  -0.000502  -0.001509
     7  N    7.643645   0.030905   0.056204  -0.043687  -0.002075  -0.200971
     8  O    0.030905   7.862298  -0.048514  -0.005008  -0.035947  -0.011575
     9  H    0.056204  -0.048514   1.056892   0.004679  -0.003389  -0.034741
    10  H   -0.043687  -0.005008   0.004679   1.048260   0.010277   0.006733
    11  H   -0.002075  -0.035947  -0.003389   0.010277   0.635636   0.002102
    12  H   -0.200971  -0.011575  -0.034741   0.006733   0.002102   0.921541
    13  H   -0.125855  -0.003489   0.021158  -0.028378  -0.001405  -0.016090
    14  H    0.011223   0.000851   0.008233  -0.009281  -0.000035  -0.001085
    15  H    0.009902   0.002806  -0.031543  -0.002520   0.000031   0.000020
    16  H   -0.053817  -0.000882   0.001065  -0.005178   0.000015   0.007554
    17  H    0.001259   0.000168   0.006420   0.034366  -0.000166  -0.000159
    18  H    0.008403   0.029228   0.011719  -0.068308  -0.005082  -0.000956
    19  H   -0.003445  -0.023012  -0.018633   0.007819   0.000640   0.000320
              13         14         15         16         17         18
     1  C    0.001056  -0.006806  -0.012856   0.006542   0.187360   0.392004
     2  C    0.028676   0.116513   0.147315   0.025970   0.098486  -0.030406
     3  C    0.147593   0.015328   0.023904  -0.056599   0.022463  -0.094811
     4  C   -0.030488  -0.007533  -0.002852   0.004432  -0.001807  -0.064308
     5  O   -0.009923   0.001300  -0.000572   0.000603   0.003397   0.039698
     6  C   -0.000080   0.184951   0.121129   0.389365  -0.011305   0.021234
     7  N   -0.125855   0.011223   0.009902  -0.053817   0.001259   0.008403
     8  O   -0.003489   0.000851   0.002806  -0.000882   0.000168   0.029228
     9  H    0.021158   0.008233  -0.031543   0.001065   0.006420   0.011719
    10  H   -0.028378  -0.009281  -0.002520  -0.005178   0.034366  -0.068308
    11  H   -0.001405  -0.000035   0.000031   0.000015  -0.000166  -0.005082
    12  H   -0.016090  -0.001085   0.000020   0.007554  -0.000159  -0.000956
    13  H    0.908894   0.001353  -0.002002  -0.002460  -0.000057   0.000517
    14  H    0.001353   0.815259  -0.022232  -0.087104   0.017940   0.009688
    15  H   -0.002002  -0.022232   0.817773  -0.115934  -0.023478  -0.000424
    16  H   -0.002460  -0.087104  -0.115934   0.835246   0.004261  -0.002804
    17  H   -0.000057   0.017940  -0.023478   0.004261   0.729911  -0.070950
    18  H    0.000517   0.009688  -0.000424  -0.002804  -0.070950   0.939413
    19  H   -0.000502  -0.024562   0.012500   0.001407  -0.002615  -0.109793
              19
     1  C    0.158924
     2  C    0.144068
     3  C    0.013965
     4  C    0.031451
     5  O   -0.008812
     6  C   -0.024760
     7  N   -0.003445
     8  O   -0.023012
     9  H   -0.018633
    10  H    0.007819
    11  H    0.000640
    12  H    0.000320
    13  H   -0.000502
    14  H   -0.024562
    15  H    0.012500
    16  H    0.001407
    17  H   -0.002615
    18  H   -0.109793
    19  H    0.711247
 Mulliken charges:
               1
     1  C    0.724866
     2  C   -1.467239
     3  C   -0.217079
     4  C   -0.062556
     5  O   -0.193064
     6  C    0.853090
     7  N    0.043008
     8  O   -0.146920
     9  H    0.030396
    10  H   -0.164821
    11  H    0.160524
    12  H    0.090727
    13  H    0.111482
    14  H   -0.024001
    15  H    0.079034
    16  H    0.048317
    17  H    0.004506
    18  H   -0.004062
    19  H    0.133792
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.859102
     2  C   -1.632059
     3  C   -0.186683
     4  C   -0.062556
     5  O   -0.032540
     6  C    0.956440
     7  N    0.245217
     8  O   -0.146920
 Electronic spatial extent (au):  <R**2>=           1056.6100
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0104    Y=              0.3486    Z=              1.6110  Tot=              1.6483
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -49.8482   YY=            -49.9383   ZZ=            -50.7773
   XY=             -4.1988   XZ=             -5.1594   YZ=             -2.1240
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.3397   YY=              0.2497   ZZ=             -0.5894
   XY=             -4.1988   XZ=             -5.1594   YZ=             -2.1240
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -21.3497  YYY=              3.5543  ZZZ=              2.9358  XYY=            -12.5800
  XXY=             -0.8343  XXZ=             19.1439  XZZ=             -1.4021  YZZ=              3.7113
  YYZ=              3.0222  XYZ=              6.7252
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -755.1043 YYYY=           -408.5620 ZZZZ=           -179.3865 XXXY=              0.6795
 XXXZ=            -47.3265 YYYX=            -19.3792 YYYZ=             -0.4287 ZZZX=            -12.9357
 ZZZY=             -0.5157 XXYY=           -199.4066 XXZZ=           -157.8308 YYZZ=            -92.1974
 XXYZ=            -16.9995 YYXZ=              0.0790 ZZXY=             -1.2439
 N-N= 4.073201849877D+02 E-N=-1.750701888276D+03  KE= 3.973374965635D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sun Sep 26 20:02:27 2021, MaxMem=  6442450944 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-3.68311807D-02 1.77371470D-01 6.26201715D-01
 Polarizability= 8.22267878D+01 2.49082136D+00 7.41808333D+01
                 3.35194953D-01 1.07135497D+00 6.88385936D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.3442   -0.3462        1.3156    1.3118
 2      0.3442    0.3462       -0.6481   -0.6437       -4.1647   -4.1695
 3     -1.3156   -1.3118        6.8824    6.8934        0.6445    0.6437
 4      0.6481    0.6437        0.0000    0.0000       -1.3171   -1.3118
 5     -2.7177   -2.7239        1.3171    1.3118       -0.3441   -0.3462
 6     -0.6445   -0.6437        0.3441    0.3462       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.0386    1.0386        3.9353    3.9353
 2      1.9311    1.9311        0.0000    0.0000        3.9353    3.9353
 3      1.9311    1.9311        1.0386    1.0386       -0.0000    0.0000
 4      1.0386    1.0386       -1.9311   -1.9311      -12.5085  -12.5085
 5     -3.9353   -3.9353       20.6802   20.6802        1.9311    1.9311
 6     -8.1718   -8.1718        3.9353    3.9353       -1.0386   -1.0386
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1565    0.0000        1.8255    1.3848       -4.8325   -5.2470
 2     -1.3232   -1.3848        2.9875    2.5748       16.6240   16.6780
 3      5.3477    5.2470      -27.8260  -27.5736       -2.5371   -2.5748
 4     -2.6355   -2.5748       -0.0219    0.0000        5.4429    5.2470
 5     11.1600   10.8957       -5.5602   -5.2470        1.2477    1.3848
 6      2.6290    2.5748       -1.0913   -1.3848        0.0736    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0839    0.0000        8.4171    8.1995        2.7282    2.8855
 2     -7.8294   -8.1995      -15.4794  -16.2422        6.2633    6.3765
 3     -3.0960   -2.8855        7.3769    6.6154       17.3923   16.2422
 4     16.3827   16.2422       -0.1176    0.0000       -3.1694   -2.8855
 5    -13.3475  -12.9920        2.7124    2.8855        8.3267    8.1995
 6    -16.4823  -16.2422       -8.0113   -8.1995        0.3329    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     13.9877   14.0520       10.5607   10.9423        1.0880    1.2320
 2     39.9764   39.8835       19.0876   19.7311        0.6378    1.2320
 3     40.0513   39.8835       10.1626   10.9423        1.1862    1.5540
 4     -8.7178   -8.7888      -25.2652  -25.8315        8.5322    8.3569
 5      0.9545    0.3221       14.1043   13.9207       26.8772   25.8315
 6    -22.1692  -22.2777       -0.8918   -0.3221        9.2279    8.7888
 Full mass-weighted force constant matrix:
 Low frequencies ---   -8.6218   -5.0904   -0.0006   -0.0004   -0.0002    0.8754
 Low frequencies ---   50.1305   72.6669  167.4949
 Diagonal vibrational polarizability:
       16.2729913      20.1562444      20.7277964
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     50.1283                72.6656               167.4948
 Red. masses --      8.0815                 2.8232                 3.9152
 Frc consts  --      0.0120                 0.0088                 0.0647
 IR Inten    --      1.0562                 0.1631                 0.0120
 RamAct Fr= 1--      1.1165                 0.1191                 0.3351
  Dep-P Fr= 1--      0.7313                 0.7499                 0.6102
  Dep-U Fr= 1--      0.8448                 0.8571                 0.7579
 Alpha2 Fr= 1--      0.0004                 0.0000                 0.0009
 Beta2  Fr= 1--      0.1572                 0.0170                 0.0423
 AlphaG Fr= 1--      0.0005                 0.0000                -0.0018
 Gamma2 Fr= 1--      0.0132                 0.0134                -0.0854
 Delta2 Fr= 1--      0.0375                 0.0217                -0.0160
 Raman1 Fr= 1--       4.466                  0.476                  1.340
 ROA1   Fr= 1--       2.464                  1.978                 -8.714
 CID1   Fr= 1--       0.552                  4.152                 -6.501
 Raman2 Fr= 1--       1.886                  0.204                  0.508
 ROA2   Fr= 1--       0.017                  0.147                 -1.922
 CID2   Fr= 1--       0.009                  0.718                 -3.785
 Raman3 Fr= 1--       3.773                  0.408                  1.016
 ROA3   Fr= 1--       2.464                  1.978                 -8.714
 CID3   Fr= 1--       0.653                  4.844                 -8.577
 RC180  Fr= 1--       0.690                  0.714                  0.516
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.00   0.14     0.07  -0.02  -0.21     0.26  -0.07   0.05
     2   6     0.01   0.02   0.06    -0.03  -0.05  -0.01     0.09  -0.06   0.01
     3   6     0.02  -0.09  -0.06    -0.01  -0.05  -0.04     0.01  -0.13   0.06
     4   6    -0.02  -0.00  -0.02    -0.02   0.00   0.03    -0.07  -0.00   0.02
     5   8     0.21  -0.33   0.06     0.02   0.11   0.04    -0.20   0.12  -0.03
     6   6     0.01   0.05   0.10    -0.01   0.06   0.22     0.00   0.09  -0.11
     7   7    -0.04  -0.04  -0.23     0.03  -0.03  -0.13     0.02  -0.13   0.07
     8   8    -0.25   0.40  -0.05    -0.06  -0.04   0.09    -0.09   0.12  -0.04
     9   1     0.04  -0.21  -0.05    -0.02  -0.12  -0.04    -0.01  -0.12   0.06
    10   1    -0.06   0.08   0.04    -0.15  -0.19  -0.00     0.15  -0.05   0.02
    11   1     0.13  -0.16   0.08     0.01   0.14   0.09    -0.28   0.29  -0.11
    12   1    -0.05  -0.14  -0.31     0.02  -0.06  -0.14     0.01  -0.13   0.08
    13   1    -0.05   0.07  -0.25     0.06   0.04  -0.13     0.02  -0.14   0.07
    14   1    -0.01   0.10   0.16    -0.05  -0.03   0.20     0.11   0.13  -0.23
    15   1     0.07   0.01   0.12     0.09   0.27   0.19    -0.11   0.15  -0.14
    16   1    -0.03   0.06   0.05    -0.05   0.03   0.42    -0.08   0.08  -0.07
    17   1     0.03   0.05   0.26     0.00  -0.06  -0.13     0.28   0.03   0.13
    18   1     0.05   0.01   0.08     0.02  -0.11  -0.43     0.28  -0.15  -0.01
    19   1     0.19  -0.06   0.17     0.26   0.12  -0.22     0.37  -0.10   0.06
                      4                      5                      6
                      A                      A                      A
 Frequencies --    213.0124               224.7072               260.2661
 Red. masses --      1.0752                 1.2478                 1.5027
 Frc consts  --      0.0287                 0.0371                 0.0600
 IR Inten    --      0.2332                 0.4621                19.4675
 RamAct Fr= 1--      0.1180                 0.1287                 0.2588
  Dep-P Fr= 1--      0.7391                 0.6886                 0.7432
  Dep-U Fr= 1--      0.8500                 0.8156                 0.8527
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0167                 0.0175                 0.0368
 AlphaG Fr= 1--      0.0000                 0.0012                -0.0001
 Gamma2 Fr= 1--     -0.0107                 0.0685                 0.1320
 Delta2 Fr= 1--      0.0084                 0.0322                -0.0730
 Raman1 Fr= 1--       0.472                  0.515                  1.035
 ROA1   Fr= 1--      -0.756                  7.604                 10.339
 CID1   Fr= 1--      -1.602                 14.769                  9.989
 Raman2 Fr= 1--       0.201                  0.210                  0.441
 ROA2   Fr= 1--      -0.323                  1.386                  3.753
 CID2   Fr= 1--      -1.609                  6.601                  8.503
 Raman3 Fr= 1--       0.401                  0.420                  0.883
 ROA3   Fr= 1--      -0.756                  7.604                 10.339
 CID3   Fr= 1--      -1.885                 18.109                 11.714
 RC180  Fr= 1--       0.700                  0.631                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.04     0.02  -0.01   0.02    -0.00   0.02   0.01
     2   6    -0.01   0.01   0.00    -0.02   0.00  -0.04    -0.03   0.02  -0.01
     3   6    -0.00   0.01   0.01    -0.02   0.02  -0.05    -0.02   0.01  -0.01
     4   6     0.00   0.00   0.00    -0.00   0.01  -0.03    -0.03   0.00   0.02
     5   8    -0.01  -0.03   0.00     0.06   0.03  -0.01    -0.07  -0.06   0.01
     6   6    -0.01  -0.00  -0.03    -0.01  -0.01  -0.01    -0.03   0.04   0.01
     7   7     0.02   0.02  -0.01    -0.01  -0.01   0.07     0.14   0.01  -0.06
     8   8     0.02  -0.01  -0.00    -0.03  -0.02   0.01     0.01  -0.02  -0.00
     9   1    -0.01  -0.00   0.01    -0.02   0.09  -0.06    -0.07  -0.04  -0.02
    10   1     0.01   0.02   0.01    -0.06   0.03  -0.06    -0.04   0.02  -0.01
    11   1     0.00  -0.05  -0.01     0.07   0.01   0.04    -0.04  -0.12  -0.04
    12   1     0.00   0.02   0.01    -0.06   0.04   0.17    -0.28  -0.02   0.39
    13   1     0.07   0.03  -0.00     0.05  -0.11   0.10     0.81   0.02   0.12
    14   1     0.04  -0.35  -0.38    -0.05   0.17   0.20    -0.04   0.10   0.08
    15   1    -0.25   0.41  -0.15     0.14  -0.25   0.07     0.03  -0.03   0.03
    16   1     0.17  -0.07   0.39    -0.09   0.03  -0.24    -0.06   0.05  -0.07
    17   1    -0.19  -0.01   0.30    -0.23   0.00   0.44     0.03   0.04  -0.01
    18   1    -0.14   0.07  -0.22    -0.16   0.04  -0.37     0.02  -0.00   0.05
    19   1     0.28  -0.04   0.07     0.51  -0.09   0.08    -0.03   0.00   0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    267.1170               298.7253               350.5555
 Red. masses --      1.9693                 2.1632                 2.5541
 Frc consts  --      0.0828                 0.1137                 0.1849
 IR Inten    --      5.2500                13.3919                 5.9262
 RamAct Fr= 1--      0.3152                 0.3942                 1.0110
  Dep-P Fr= 1--      0.4776                 0.5620                 0.1379
  Dep-U Fr= 1--      0.6465                 0.7196                 0.2424
 Alpha2 Fr= 1--      0.0017                 0.0014                 0.0161
 Beta2  Fr= 1--      0.0340                 0.0473                 0.0408
 AlphaG Fr= 1--      0.0055                -0.0072                 0.0069
 Gamma2 Fr= 1--     -0.0214                 0.2219                -0.1031
 Delta2 Fr= 1--     -0.0281                 0.1098                 0.0598
 Raman1 Fr= 1--       1.261                  1.577                  4.044
 ROA1   Fr= 1--      -2.957                 24.813                 -7.984
 CID1   Fr= 1--      -2.345                 15.737                 -1.974
 Raman2 Fr= 1--       0.408                  0.567                  0.490
 ROA2   Fr= 1--      -0.289                  4.447                 -2.952
 CID2   Fr= 1--      -0.710                  7.839                 -6.024
 Raman3 Fr= 1--       0.815                  1.135                  0.980
 ROA3   Fr= 1--      -2.957                 24.813                 -7.984
 CID3   Fr= 1--      -3.628                 21.871                 -8.145
 RC180  Fr= 1--       0.293                  0.439                 -0.515
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02   0.07     0.00  -0.06   0.03    -0.13  -0.05  -0.02
     2   6    -0.02  -0.00  -0.04    -0.07  -0.05  -0.00     0.00  -0.07   0.08
     3   6    -0.00  -0.02  -0.09    -0.02   0.01  -0.01     0.06  -0.08   0.06
     4   6     0.01  -0.01  -0.08    -0.02   0.03  -0.03     0.10  -0.01   0.02
     5   8     0.13   0.08  -0.05     0.05  -0.03  -0.01     0.07   0.05   0.01
     6   6    -0.02   0.04   0.05    -0.16   0.11  -0.02    -0.12   0.12  -0.04
     7   7    -0.03  -0.06   0.08     0.19  -0.00   0.05    -0.07  -0.07  -0.04
     8   8    -0.08  -0.02  -0.00    -0.01  -0.04  -0.00     0.13   0.07  -0.04
     9   1     0.03   0.07  -0.10     0.00   0.03  -0.01     0.12  -0.14   0.07
    10   1    -0.09   0.04  -0.06    -0.09  -0.04  -0.01     0.04  -0.11   0.09
    11   1     0.13   0.11   0.07     0.08  -0.11   0.04     0.02   0.17   0.02
    12   1    -0.25  -0.04   0.35     0.64   0.22  -0.26    -0.34  -0.24   0.11
    13   1     0.21  -0.25   0.17    -0.24   0.05  -0.08     0.15  -0.06   0.02
    14   1    -0.02  -0.14  -0.09    -0.06   0.24  -0.04     0.06   0.35  -0.11
    15   1    -0.05   0.31  -0.01    -0.16   0.15  -0.03    -0.21   0.10  -0.06
    16   1     0.03  -0.00   0.32    -0.34   0.12  -0.03    -0.36   0.14  -0.13
    17   1     0.17   0.07  -0.11     0.06   0.01   0.02    -0.26  -0.22   0.02
    18   1     0.12  -0.04   0.38     0.04  -0.10   0.10    -0.23   0.06  -0.16
    19   1    -0.29  -0.12   0.07    -0.04  -0.09   0.04    -0.06   0.03  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    386.5719               438.6640               532.8875
 Red. masses --      2.7224                 2.8335                 3.6805
 Frc consts  --      0.2397                 0.3212                 0.6158
 IR Inten    --      5.1256                 2.1896                 9.8305
 RamAct Fr= 1--      1.4627                 0.9028                 5.5625
  Dep-P Fr= 1--      0.5631                 0.3787                 0.1072
  Dep-U Fr= 1--      0.7205                 0.5494                 0.1936
 Alpha2 Fr= 1--      0.0052                 0.0072                 0.0957
 Beta2  Fr= 1--      0.1757                 0.0827                 0.1795
 AlphaG Fr= 1--     -0.0055                 0.0051                 0.0149
 Gamma2 Fr= 1--     -0.2878                -0.2533                 0.2471
 Delta2 Fr= 1--      0.1157                -0.0121                 0.0607
 Raman1 Fr= 1--       5.851                  3.611                 22.250
 ROA1   Fr= 1--     -23.928                -24.703                 25.661
 CID1   Fr= 1--      -4.090                 -6.841                  1.153
 Raman2 Fr= 1--       2.108                  0.992                  2.154
 ROA2   Fr= 1--      -7.833                 -5.982                  5.445
 CID2   Fr= 1--      -3.716                 -6.031                  2.528
 Raman3 Fr= 1--       4.216                  1.984                  4.308
 ROA3   Fr= 1--     -23.928                -24.703                 25.661
 CID3   Fr= 1--      -5.676                -12.452                  5.957
 RC180  Fr= 1--       0.441                  0.099                 -0.613
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.17  -0.07  -0.00     0.01   0.18  -0.04    -0.00  -0.18   0.00
     2   6    -0.13  -0.05   0.06    -0.01   0.08   0.23     0.12  -0.12   0.09
     3   6    -0.05   0.06   0.02     0.04  -0.05   0.06     0.06   0.10   0.12
     4   6     0.02   0.08  -0.00    -0.03  -0.06  -0.08    -0.04   0.03  -0.09
     5   8     0.07   0.02   0.01     0.07   0.02  -0.07     0.01  -0.01  -0.11
     6   6    -0.15  -0.14  -0.01    -0.05  -0.06  -0.03     0.07   0.05  -0.01
     7   7    -0.08   0.10  -0.04     0.07  -0.06   0.02    -0.03   0.22  -0.03
     8   8     0.09   0.03  -0.03    -0.13  -0.06  -0.01    -0.17  -0.08   0.05
     9   1     0.00   0.05   0.03     0.23  -0.11   0.10     0.22   0.13   0.14
    10   1    -0.14  -0.09   0.07     0.01   0.09   0.22     0.23  -0.23   0.12
    11   1     0.12  -0.09   0.07     0.04   0.11   0.04     0.12  -0.25  -0.06
    12   1    -0.25  -0.01   0.05     0.08  -0.01   0.04    -0.25  -0.01   0.01
    13   1     0.08   0.13   0.00     0.13  -0.03   0.03     0.12   0.35   0.00
    14   1    -0.14  -0.19  -0.08     0.03  -0.08  -0.17     0.24   0.24  -0.09
    15   1    -0.29  -0.21  -0.02    -0.33  -0.25  -0.05     0.01   0.11  -0.04
    16   1    -0.03  -0.14  -0.08     0.13  -0.04  -0.22    -0.15   0.06  -0.03
    17   1     0.37   0.18  -0.07     0.00   0.02  -0.19    -0.07  -0.29   0.01
    18   1     0.33  -0.39   0.02    -0.00   0.05  -0.24    -0.06  -0.07  -0.01
    19   1     0.21   0.01  -0.01     0.06   0.53  -0.11    -0.02  -0.18   0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    594.8940               634.9587               773.5657
 Red. masses --      1.1944                 3.2124                 4.1443
 Frc consts  --      0.2490                 0.7631                 1.4611
 IR Inten    --     84.2038                47.7331                18.7576
 RamAct Fr= 1--      0.7302                 3.8022                 1.5386
  Dep-P Fr= 1--      0.6343                 0.0503                 0.2853
  Dep-U Fr= 1--      0.7762                 0.0958                 0.4440
 Alpha2 Fr= 1--      0.0015                 0.0750                 0.0165
 Beta2  Fr= 1--      0.0945                 0.0607                 0.1139
 AlphaG Fr= 1--     -0.0148                 0.0060                 0.0133
 Gamma2 Fr= 1--      0.0151                -0.0932                 0.0281
 Delta2 Fr= 1--      0.0532                -0.0748                -0.3562
 Raman1 Fr= 1--       2.921                 15.209                  6.155
 ROA1   Fr= 1--       3.156                -11.343                 -8.703
 CID1   Fr= 1--       1.081                 -0.746                 -1.414
 Raman2 Fr= 1--       1.134                  0.729                  1.366
 ROA2   Fr= 1--      -0.063                 -1.638                  3.523
 CID2   Fr= 1--      -0.055                 -2.249                  2.579
 Raman3 Fr= 1--       2.267                  1.457                  2.732
 ROA3   Fr= 1--       3.156                -11.343                 -8.703
 CID3   Fr= 1--       1.392                 -7.784                 -3.185
 RC180  Fr= 1--       0.552                 -0.808                 -0.112
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01  -0.00    -0.00   0.02  -0.00     0.01  -0.06   0.02
     2   6    -0.01  -0.00  -0.02    -0.03   0.00   0.01     0.04  -0.03   0.13
     3   6     0.01   0.03   0.00     0.16   0.02  -0.14    -0.05   0.00  -0.14
     4   6     0.03  -0.06   0.00     0.19   0.07   0.01    -0.18   0.38  -0.06
     5   8     0.02  -0.06  -0.01    -0.11  -0.05  -0.10     0.02  -0.10   0.07
     6   6    -0.02  -0.01   0.00    -0.08  -0.02   0.01     0.11   0.04  -0.00
     7   7     0.01   0.06   0.00    -0.01  -0.02   0.01    -0.02  -0.07  -0.01
     8   8    -0.01  -0.01   0.02    -0.02   0.04   0.23     0.07  -0.09   0.01
     9   1     0.00   0.06   0.00     0.20   0.02  -0.13     0.01  -0.12  -0.12
    10   1    -0.02  -0.02  -0.01    -0.16   0.05  -0.01    -0.05   0.09   0.10
    11   1    -0.42   0.87  -0.19    -0.05  -0.29  -0.67    -0.20   0.36  -0.05
    12   1     0.00   0.05   0.01    -0.13  -0.09   0.06    -0.09   0.00   0.13
    13   1     0.03   0.07   0.01    -0.19  -0.28  -0.00    -0.18  -0.41  -0.01
    14   1    -0.02  -0.00   0.01    -0.02  -0.00  -0.06     0.23   0.08  -0.13
    15   1    -0.01   0.00   0.00    -0.19  -0.04  -0.01    -0.08  -0.02  -0.03
    16   1    -0.03  -0.01   0.00    -0.09  -0.02  -0.03     0.11   0.05  -0.09
    17   1     0.02   0.03   0.02     0.03   0.05  -0.03    -0.02  -0.28  -0.15
    18   1     0.02  -0.03   0.02     0.02  -0.04  -0.01    -0.04  -0.05  -0.11
    19   1     0.02  -0.05   0.01     0.01   0.06  -0.01    -0.04   0.22  -0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --    811.6935               847.8006               901.8288
 Red. masses --      2.6940                 1.8070                 2.3520
 Frc consts  --      1.0458                 0.7652                 1.1270
 IR Inten    --     76.6544                55.6570                49.2094
 RamAct Fr= 1--      4.7286                 5.9118                 1.9906
  Dep-P Fr= 1--      0.0259                 0.1141                 0.6578
  Dep-U Fr= 1--      0.0505                 0.2048                 0.7936
 Alpha2 Fr= 1--      0.0989                 0.1000                 0.0033
 Beta2  Fr= 1--      0.0398                 0.2018                 0.2633
 AlphaG Fr= 1--      0.0260                -0.0263                 0.0165
 Gamma2 Fr= 1--      0.2065                 0.4612                -0.4214
 Delta2 Fr= 1--     -0.0768                 0.8234                -0.8686
 Raman1 Fr= 1--      18.914                 23.647                  7.963
 ROA1   Fr= 1--      17.364                 70.622                -68.253
 CID1   Fr= 1--       0.918                  2.986                 -8.572
 Raman2 Fr= 1--       0.477                  2.421                  3.159
 ROA2   Fr= 1--       5.570                  4.480                 -3.165
 CID2   Fr= 1--      11.666                  1.851                 -1.002
 Raman3 Fr= 1--       0.955                  4.842                  6.319
 ROA3   Fr= 1--      17.364                 70.622                -68.253
 CID3   Fr= 1--      18.183                 14.585                -10.801
 RC180  Fr= 1--      -0.899                 -0.590                  0.587
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03   0.01    -0.01  -0.11   0.02    -0.05  -0.12   0.00
     2   6     0.01   0.00   0.04    -0.01   0.03   0.09    -0.12   0.08   0.03
     3   6     0.12   0.02  -0.16    -0.06   0.06  -0.11    -0.11  -0.07   0.06
     4   6    -0.02  -0.15  -0.00     0.06  -0.10   0.03     0.03  -0.04   0.05
     5   8    -0.07   0.02   0.16    -0.02   0.02   0.01     0.03   0.01  -0.10
     6   6    -0.01  -0.01   0.02     0.07   0.03   0.02     0.10   0.11  -0.04
     7   7     0.09   0.15   0.01    -0.08  -0.04   0.00     0.10   0.06   0.01
     8   8    -0.03   0.00  -0.09     0.01   0.04   0.00     0.02   0.03   0.03
     9   1     0.12   0.02  -0.16    -0.10   0.09  -0.12    -0.19  -0.16   0.06
    10   1    -0.16   0.08   0.00    -0.19   0.12   0.04    -0.09   0.16   0.02
    11   1    -0.02  -0.05   0.32     0.01  -0.06  -0.04     0.04  -0.01  -0.09
    12   1    -0.34  -0.16   0.18     0.40   0.50  -0.01    -0.27  -0.28   0.07
    13   1    -0.47  -0.42  -0.04     0.36   0.13   0.08    -0.35  -0.18  -0.06
    14   1     0.14   0.07  -0.12     0.22   0.07  -0.16    -0.09  -0.12   0.04
    15   1    -0.20  -0.03  -0.01    -0.17  -0.05  -0.02     0.16  -0.06  -0.00
    16   1    -0.06   0.01  -0.07     0.11   0.05  -0.12     0.45   0.10  -0.09
    17   1    -0.00  -0.10  -0.06     0.01  -0.21  -0.12     0.05  -0.03  -0.07
    18   1    -0.01  -0.05  -0.05    -0.01  -0.21  -0.11     0.02  -0.40  -0.13
    19   1    -0.01   0.09  -0.02    -0.00   0.12  -0.03     0.06   0.05  -0.02
                     19                     20                     21
                      A                      A                      A
 Frequencies --    935.1830               951.9159               978.9412
 Red. masses --      1.4299                 1.6141                 1.5653
 Frc consts  --      0.7368                 0.8617                 0.8838
 IR Inten    --      6.8719                21.3275                15.1303
 RamAct Fr= 1--      2.0048                 4.0249                 2.3202
  Dep-P Fr= 1--      0.5889                 0.7039                 0.6544
  Dep-U Fr= 1--      0.7412                 0.8262                 0.7911
 Alpha2 Fr= 1--      0.0060                 0.0032                 0.0040
 Beta2  Fr= 1--      0.2477                 0.5543                 0.3059
 AlphaG Fr= 1--     -0.0206                -0.0086                -0.0091
 Gamma2 Fr= 1--      1.1535                 0.2103                -0.1637
 Delta2 Fr= 1--      0.9772                -0.2416                -0.0832
 Raman1 Fr= 1--       8.019                 16.100                  9.281
 ROA1   Fr= 1--     142.008                 12.457                -18.372
 CID1   Fr= 1--      17.708                  0.774                 -1.980
 Raman2 Fr= 1--       2.972                  6.651                  3.671
 ROA2   Fr= 1--      19.867                  6.979                 -3.262
 CID2   Fr= 1--       6.684                  1.049                 -0.889
 Raman3 Fr= 1--       5.944                 13.302                  7.342
 ROA3   Fr= 1--     142.008                 12.457                -18.372
 CID3   Fr= 1--      23.891                  0.936                 -2.502
 RC180  Fr= 1--       0.482                  0.652                  0.582
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04   0.08     0.10   0.01  -0.02    -0.04   0.10  -0.02
     2   6     0.05  -0.06   0.00     0.09  -0.00   0.00    -0.03  -0.09   0.01
     3   6    -0.08  -0.03  -0.03    -0.11  -0.05  -0.03    -0.07  -0.02  -0.01
     4   6     0.01  -0.02   0.03     0.01  -0.02   0.04    -0.00  -0.01   0.03
     5   8     0.01   0.00  -0.04     0.02   0.00  -0.06     0.01   0.00  -0.05
     6   6    -0.02  -0.08  -0.03    -0.06   0.01   0.06     0.11  -0.04   0.04
     7   7     0.01   0.05   0.00     0.02   0.06   0.00     0.02   0.02  -0.00
     8   8     0.01   0.02   0.01     0.02   0.02   0.02     0.01   0.01   0.01
     9   1    -0.22  -0.04  -0.05    -0.28  -0.07  -0.05    -0.20  -0.05  -0.02
    10   1     0.23   0.29  -0.03    -0.08  -0.14   0.00    -0.20  -0.28   0.02
    11   1     0.01  -0.00  -0.04     0.02  -0.00  -0.04     0.02   0.00  -0.01
    12   1    -0.03   0.07   0.06    -0.04   0.07   0.07    -0.05  -0.00   0.04
    13   1    -0.05  -0.04   0.00    -0.10  -0.07  -0.01    -0.09  -0.07  -0.01
    14   1    -0.01   0.12   0.12    -0.05  -0.12  -0.07     0.51   0.28  -0.24
    15   1     0.27   0.24  -0.03    -0.29  -0.22   0.06    -0.23   0.07  -0.04
    16   1    -0.41  -0.10   0.24     0.17   0.02  -0.13    -0.26  -0.00  -0.10
    17   1     0.03  -0.20  -0.19    -0.19  -0.41   0.02     0.06   0.42   0.13
    18   1    -0.03  -0.08  -0.19    -0.11   0.56   0.11     0.08  -0.04   0.11
    19   1     0.02   0.49  -0.02    -0.21  -0.16  -0.01     0.08  -0.11   0.03
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1070.9353              1102.7718              1131.3548
 Red. masses --      1.3331                 2.4471                 2.6772
 Frc consts  --      0.9008                 1.7533                 2.0190
 IR Inten    --     12.5682                30.3743                50.2422
 RamAct Fr= 1--      2.5406                 2.1207                 3.8370
  Dep-P Fr= 1--      0.2116                 0.3602                 0.7452
  Dep-U Fr= 1--      0.3492                 0.5296                 0.8540
 Alpha2 Fr= 1--      0.0335                 0.0180                 0.0003
 Beta2  Fr= 1--      0.1479                 0.1872                 0.5461
 AlphaG Fr= 1--     -0.0101                -0.0094                 0.0029
 Gamma2 Fr= 1--     -0.6515                -0.6060                 0.2098
 Delta2 Fr= 1--     -0.3722                -1.1171                 1.1652
 Raman1 Fr= 1--      10.163                  8.483                 15.348
 ROA1   Fr= 1--     -74.457                -93.926                 57.428
 CID1   Fr= 1--      -7.327                -11.073                  3.742
 Raman2 Fr= 1--       1.775                  2.246                  6.554
 ROA2   Fr= 1--     -12.659                 -5.608                 -4.287
 CID2   Fr= 1--      -7.134                 -2.496                 -0.654
 Raman3 Fr= 1--       3.549                  4.493                 13.107
 ROA3   Fr= 1--     -74.457                -93.926                 57.428
 CID3   Fr= 1--     -20.978                -20.906                  4.381
 RC180  Fr= 1--      -0.302                  0.059                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02  -0.05    -0.03  -0.07  -0.07     0.06   0.06   0.02
     2   6     0.00  -0.01   0.07     0.10   0.13   0.06    -0.08  -0.13   0.08
     3   6    -0.03  -0.08  -0.05    -0.05   0.21   0.03    -0.15   0.17   0.01
     4   6     0.02  -0.00  -0.01    -0.02  -0.04   0.05     0.11  -0.05  -0.09
     5   8    -0.00   0.00   0.02     0.00  -0.01  -0.06    -0.01   0.03   0.11
     6   6    -0.01   0.02  -0.05    -0.06  -0.07   0.03     0.04   0.03  -0.08
     7   7    -0.03   0.08  -0.00     0.03  -0.11  -0.07     0.05  -0.08  -0.04
     8   8     0.00   0.00   0.00     0.00   0.01   0.01    -0.02   0.00  -0.02
     9   1     0.22  -0.44   0.02    -0.09  -0.02   0.04     0.10   0.29   0.04
    10   1     0.26  -0.21   0.13     0.47   0.06   0.12     0.04  -0.40   0.14
    11   1     0.00  -0.03  -0.08     0.01   0.04   0.21    -0.01  -0.07  -0.43
    12   1     0.14   0.49   0.18    -0.05   0.01   0.13    -0.12  -0.21   0.01
    13   1     0.03  -0.25   0.05    -0.18  -0.53  -0.07    -0.13  -0.14  -0.08
    14   1    -0.18  -0.07   0.12     0.03   0.09   0.04    -0.10  -0.02   0.09
    15   1     0.22   0.03  -0.01    -0.07   0.06   0.01     0.33   0.07  -0.03
    16   1     0.06  -0.01   0.09    -0.23  -0.06   0.08     0.13   0.00   0.09
    17   1     0.00   0.21   0.11     0.01   0.12   0.09    -0.08  -0.15   0.04
    18   1     0.04  -0.01   0.10     0.06  -0.14   0.08    -0.03   0.27   0.05
    19   1     0.04  -0.20   0.01     0.07  -0.33  -0.01    -0.10   0.06   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1177.2094              1195.9796              1249.1926
 Red. masses --      2.1025                 1.7403                 1.7444
 Frc consts  --      1.7167                 1.4666                 1.6038
 IR Inten    --    109.3359                 5.1116                 4.9430
 RamAct Fr= 1--      5.2993                 2.2075                 2.2628
  Dep-P Fr= 1--      0.7379                 0.6165                 0.1849
  Dep-U Fr= 1--      0.8492                 0.7628                 0.3121
 Alpha2 Fr= 1--      0.0011                 0.0054                 0.0320
 Beta2  Fr= 1--      0.7500                 0.2806                 0.1177
 AlphaG Fr= 1--     -0.0040                -0.0028                 0.0360
 Gamma2 Fr= 1--      0.9110                 0.4080                 0.4349
 Delta2 Fr= 1--      0.0729                 0.2901                 0.0896
 Raman1 Fr= 1--      21.197                  8.830                  9.051
 ROA1   Fr= 1--      89.792                 48.447                 44.616
 CID1   Fr= 1--       4.236                  5.487                  4.929
 Raman2 Fr= 1--       9.000                  3.368                  1.412
 ROA2   Fr= 1--      21.281                  7.470                  9.721
 CID2   Fr= 1--       2.365                  2.218                  6.883
 Raman3 Fr= 1--      18.000                  6.735                  2.825
 ROA3   Fr= 1--      89.792                 48.447                 44.616
 CID3   Fr= 1--       4.988                  7.193                 15.795
 RC180  Fr= 1--       0.698                  0.526                 -0.376
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.04   0.05    -0.10   0.03   0.06    -0.04   0.01  -0.08
     2   6    -0.07  -0.12   0.02     0.14  -0.11  -0.05     0.07  -0.01   0.16
     3   6     0.10   0.09  -0.03    -0.02   0.03  -0.01    -0.01  -0.05  -0.13
     4   6    -0.07  -0.03   0.10     0.01   0.00  -0.01    -0.02  -0.00   0.03
     5   8    -0.02  -0.03  -0.13     0.00   0.01   0.01    -0.01  -0.01  -0.02
     6   6     0.01   0.05  -0.06    -0.06   0.09   0.06    -0.03   0.01  -0.06
     7   7    -0.02  -0.02  -0.02     0.00  -0.01  -0.01     0.01  -0.00   0.05
     8   8     0.03   0.03   0.04    -0.01  -0.00  -0.01     0.01   0.01   0.01
     9   1     0.10   0.00  -0.03    -0.23   0.12  -0.06    -0.25   0.45  -0.20
    10   1    -0.14  -0.32   0.04     0.30  -0.24  -0.01     0.02   0.11   0.13
    11   1    -0.00   0.12   0.74     0.00  -0.02  -0.08    -0.01   0.02   0.11
    12   1     0.05   0.09   0.01    -0.00   0.02   0.02    -0.07  -0.32  -0.15
    13   1     0.02  -0.16   0.00    -0.02  -0.06  -0.01     0.05   0.43   0.00
    14   1    -0.15  -0.08   0.05    -0.17  -0.23  -0.06    -0.16  -0.02   0.12
    15   1     0.22  -0.02  -0.01    -0.21  -0.29   0.09     0.19   0.01  -0.01
    16   1     0.20   0.03   0.03     0.33   0.09  -0.13     0.04  -0.03   0.14
    17   1    -0.02  -0.09  -0.02     0.15   0.27  -0.09    -0.02   0.22   0.13
    18   1    -0.04   0.12  -0.03     0.03  -0.34  -0.08     0.08  -0.04   0.16
    19   1    -0.06   0.18   0.01     0.20   0.29   0.03     0.08  -0.25  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1311.3301              1339.4710              1356.4495
 Red. masses --      1.3467                 2.3217                 1.4342
 Frc consts  --      1.3644                 2.4543                 1.5547
 IR Inten    --      5.9385                28.3940                 0.2427
 RamAct Fr= 1--      0.8746                 2.4359                 4.1470
  Dep-P Fr= 1--      0.6473                 0.7303                 0.7469
  Dep-U Fr= 1--      0.7859                 0.8442                 0.8551
 Alpha2 Fr= 1--      0.0016                 0.0008                 0.0002
 Beta2  Fr= 1--      0.1146                 0.3427                 0.5910
 AlphaG Fr= 1--     -0.0087                -0.0019                 0.0034
 Gamma2 Fr= 1--     -0.6242                 0.0752                -0.5967
 Delta2 Fr= 1--     -0.3190                -0.3941                 0.1403
 Raman1 Fr= 1--       3.498                  9.743                 16.588
 ROA1   Fr= 1--     -70.131                 -5.388                -52.788
 CID1   Fr= 1--     -20.046                 -0.553                 -3.182
 Raman2 Fr= 1--       1.375                  4.112                  7.093
 ROA2   Fr= 1--     -12.430                  4.958                -15.442
 CID2   Fr= 1--      -9.041                  1.206                 -2.177
 Raman3 Fr= 1--       2.750                  8.225                 14.185
 ROA3   Fr= 1--     -70.131                 -5.388                -52.788
 CID3   Fr= 1--     -25.507                 -0.655                 -3.721
 RC180  Fr= 1--       0.572                  0.688                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.01    -0.02  -0.00  -0.02     0.03   0.01  -0.06
     2   6    -0.02   0.00  -0.04     0.05  -0.02   0.01    -0.09  -0.14   0.02
     3   6    -0.12  -0.04  -0.07    -0.07  -0.04   0.07     0.04   0.03   0.01
     4   6     0.00  -0.01  -0.00     0.18   0.04  -0.23     0.00  -0.00   0.01
     5   8    -0.02  -0.01  -0.02    -0.08  -0.04   0.02     0.00   0.00   0.00
     6   6     0.01   0.00   0.05    -0.00   0.00  -0.01     0.01   0.04   0.04
     7   7     0.02   0.00   0.02     0.01   0.01  -0.02    -0.01   0.00  -0.01
     8   8     0.03   0.02   0.04     0.00   0.01   0.07    -0.01  -0.00  -0.01
     9   1     0.77   0.18   0.06    -0.16   0.02   0.05    -0.17  -0.07  -0.01
    10   1     0.43   0.03   0.01    -0.29   0.25  -0.08     0.45   0.76  -0.06
    11   1    -0.01   0.03   0.22    -0.05   0.12   0.80     0.00  -0.01  -0.03
    12   1    -0.05  -0.13  -0.04     0.00   0.12   0.08     0.02   0.05   0.01
    13   1    -0.00   0.19  -0.01    -0.02  -0.08  -0.01     0.01  -0.06   0.01
    14   1     0.11  -0.00  -0.09    -0.03  -0.02   0.01     0.08  -0.05  -0.12
    15   1    -0.12  -0.03   0.03    -0.00  -0.02  -0.00    -0.04  -0.09   0.05
    16   1     0.00   0.02  -0.10    -0.02  -0.01   0.03     0.12   0.05  -0.09
    17   1     0.00  -0.03  -0.03     0.02   0.07   0.01    -0.06   0.09   0.15
    18   1    -0.01  -0.02  -0.04     0.01   0.02   0.07     0.02   0.16   0.10
    19   1    -0.01  -0.00   0.01     0.08  -0.01  -0.01    -0.07  -0.07  -0.04
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1375.8691              1401.0068              1404.2635
 Red. masses --      1.3481                 1.2831                 1.2425
 Frc consts  --      1.5035                 1.4839                 1.4435
 IR Inten    --      4.7605                 6.6998                 2.2518
 RamAct Fr= 1--      6.2992                 4.0736                 1.3028
  Dep-P Fr= 1--      0.7389                 0.6704                 0.7304
  Dep-U Fr= 1--      0.8499                 0.8027                 0.8442
 Alpha2 Fr= 1--      0.0012                 0.0058                 0.0004
 Beta2  Fr= 1--      0.8922                 0.5450                 0.1833
 AlphaG Fr= 1--     -0.0051                -0.0081                 0.0028
 Gamma2 Fr= 1--      0.3415                 0.0119                -0.2075
 Delta2 Fr= 1--     -0.4186                 0.4656                -0.0992
 Raman1 Fr= 1--      25.197                 16.294                  5.211
 ROA1   Fr= 1--      19.383                 16.037                -23.096
 CID1   Fr= 1--       0.769                  0.984                 -4.432
 Raman2 Fr= 1--      10.707                  6.539                  2.200
 ROA2   Fr= 1--      11.544                 -3.440                 -4.187
 CID2   Fr= 1--       1.078                 -0.526                 -1.903
 Raman3 Fr= 1--      21.414                 13.079                  4.400
 ROA3   Fr= 1--      19.383                 16.037                -23.096
 CID3   Fr= 1--       0.905                  1.226                 -5.250
 RC180  Fr= 1--       0.700                  0.605                  0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01   0.03     0.02   0.01   0.00    -0.00  -0.08  -0.01
     2   6    -0.10   0.07  -0.01    -0.05   0.02   0.00    -0.01   0.03  -0.00
     3   6     0.05  -0.01  -0.05     0.03  -0.09   0.04     0.01  -0.05   0.02
     4   6     0.05   0.02  -0.06    -0.01   0.01   0.00    -0.01   0.00   0.00
     5   8    -0.02  -0.01   0.01     0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6     0.02  -0.02   0.02     0.08   0.02  -0.01    -0.08  -0.04   0.02
     7   7    -0.00   0.00   0.04    -0.01   0.01  -0.06    -0.00   0.01  -0.03
     8   8    -0.01  -0.00   0.01     0.01   0.00   0.00     0.00   0.00   0.00
     9   1    -0.46  -0.20  -0.12    -0.09   0.71  -0.02    -0.02   0.37  -0.01
    10   1     0.59  -0.42   0.15     0.18  -0.08   0.05     0.05  -0.09   0.02
    11   1    -0.01   0.03   0.18     0.00  -0.01  -0.02     0.00  -0.01  -0.02
    12   1     0.01  -0.15  -0.11     0.04   0.26   0.12     0.02   0.14   0.06
    13   1     0.06   0.16   0.03    -0.03  -0.26  -0.02    -0.02  -0.13  -0.01
    14   1     0.07   0.06   0.01    -0.17  -0.17   0.15     0.26   0.28  -0.16
    15   1    -0.07   0.09  -0.01    -0.27  -0.09  -0.05     0.31   0.21   0.04
    16   1    -0.01   0.01  -0.09    -0.30   0.02   0.06     0.39  -0.03  -0.13
    17   1    -0.01  -0.08  -0.01    -0.04  -0.04   0.04     0.11   0.25   0.13
    18   1    -0.04   0.02  -0.09     0.01  -0.03  -0.04    -0.11   0.27   0.09
    19   1    -0.10   0.04   0.00    -0.09  -0.02  -0.00     0.00   0.33  -0.08
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1428.2318              1488.7476              1491.3000
 Red. masses --      1.2303                 1.0516                 1.0438
 Frc consts  --      1.4786                 1.3732                 1.3678
 IR Inten    --      8.3493                 1.5447                 3.2968
 RamAct Fr= 1--      0.6530                 1.8406                 8.2325
  Dep-P Fr= 1--      0.6820                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8110                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0008                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0883                 0.2629                 1.1760
 AlphaG Fr= 1--     -0.0007                -0.0002                 0.0002
 Gamma2 Fr= 1--      0.1967                -0.0022                -0.7145
 Delta2 Fr= 1--      0.1748                -0.0491                 0.5111
 Raman1 Fr= 1--       2.612                  7.363                 32.930
 ROA1   Fr= 1--      24.479                 -1.782                -52.240
 CID1   Fr= 1--       9.372                 -0.242                 -1.586
 Raman2 Fr= 1--       1.059                  3.155                 14.113
 ROA2   Fr= 1--       3.323                  0.339                -21.238
 CID2   Fr= 1--       3.138                  0.108                 -1.505
 Raman3 Fr= 1--       2.118                  6.311                 28.225
 ROA3   Fr= 1--      24.479                 -1.782                -52.240
 CID3   Fr= 1--      11.557                 -0.282                 -1.851
 RC180  Fr= 1--       0.622                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.11  -0.02    -0.04   0.01  -0.01     0.01  -0.00   0.03
     2   6     0.01   0.01   0.00    -0.02  -0.02  -0.00     0.01  -0.02  -0.00
     3   6    -0.02   0.03  -0.02     0.01   0.00   0.00    -0.01   0.00  -0.00
     4   6     0.00  -0.01   0.01    -0.01  -0.00   0.00     0.00  -0.00   0.00
     5   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.06   0.02  -0.02     0.02  -0.03   0.00     0.00  -0.02  -0.04
     7   7     0.00  -0.01   0.02    -0.00   0.00  -0.00     0.00   0.00   0.00
     8   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     9   1     0.06  -0.19   0.00     0.01   0.02   0.00     0.02  -0.01   0.00
    10   1    -0.03  -0.02   0.00     0.04   0.03  -0.00     0.02   0.08  -0.02
    11   1     0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.00  -0.00   0.00
    12   1    -0.02  -0.09  -0.04     0.01   0.01  -0.00    -0.00   0.00   0.00
    13   1     0.01   0.09   0.01    -0.00  -0.02   0.00    -0.00   0.01  -0.00
    14   1    -0.19  -0.18   0.15    -0.14   0.11   0.32    -0.01   0.43   0.37
    15   1    -0.25  -0.10  -0.05    -0.26   0.37  -0.12    -0.37  -0.03  -0.08
    16   1    -0.28   0.02   0.08     0.16   0.01  -0.23     0.33  -0.08   0.31
    17   1     0.14   0.37   0.21     0.00  -0.21  -0.27     0.19   0.20  -0.09
    18   1    -0.15   0.40   0.18     0.06   0.14   0.37    -0.17   0.09  -0.35
    19   1     0.03   0.49  -0.13     0.53   0.00   0.04    -0.20  -0.17   0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1506.2665              1514.3282              1660.1181
 Red. masses --      1.0506                 1.0503                 1.0917
 Frc consts  --      1.4044                 1.4190                 1.7726
 IR Inten    --      4.3139                12.1844                35.1487
 RamAct Fr= 1--      9.3522                 0.3285                 2.7948
  Dep-P Fr= 1--      0.7386                 0.7424                 0.5731
  Dep-U Fr= 1--      0.8496                 0.8522                 0.7286
 Alpha2 Fr= 1--      0.0018                 0.0000                 0.0093
 Beta2  Fr= 1--      1.3243                 0.0467                 0.3394
 AlphaG Fr= 1--     -0.0024                 0.0003                -0.0092
 Gamma2 Fr= 1--     -0.2837                 0.6331                -0.2543
 Delta2 Fr= 1--     -0.2353                 0.2701                -0.0658
 Raman1 Fr= 1--      37.409                  1.314                 11.179
 ROA1   Fr= 1--     -34.768                 69.418                -26.519
 CID1   Fr= 1--      -0.929                 52.834                 -2.372
 Raman2 Fr= 1--      15.892                  0.560                  4.073
 ROA2   Fr= 1--      -4.928                 13.033                 -5.577
 CID2   Fr= 1--      -0.310                 23.280                 -1.369
 Raman3 Fr= 1--      31.784                  1.120                  8.145
 ROA3   Fr= 1--     -34.768                 69.418                -26.519
 CID3   Fr= 1--      -1.094                 61.999                 -3.256
 RC180  Fr= 1--       0.699                  0.704                  0.457
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.03    -0.01   0.01  -0.02     0.00  -0.00   0.00
     2   6     0.03  -0.01  -0.01    -0.02   0.02  -0.03    -0.01   0.00  -0.00
     3   6    -0.01   0.01  -0.00     0.01  -0.01   0.00     0.03   0.01  -0.01
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.02   0.01    -0.01   0.01  -0.03    -0.00   0.00   0.00
     7   7     0.00  -0.00   0.00    -0.00   0.00   0.00     0.03  -0.07  -0.02
     8   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     9   1     0.04  -0.04   0.01     0.01  -0.01   0.00    -0.03  -0.05  -0.01
    10   1    -0.05  -0.01  -0.03     0.07  -0.06  -0.01     0.02  -0.02  -0.00
    11   1    -0.00   0.00   0.01     0.00  -0.00   0.00    -0.00   0.00   0.00
    12   1    -0.00  -0.01  -0.00     0.00   0.00  -0.01    -0.19   0.34   0.57
    13   1    -0.00   0.01   0.00     0.01  -0.01   0.00    -0.39   0.57  -0.19
    14   1    -0.11   0.08   0.24     0.17   0.29  -0.04     0.00   0.00  -0.00
    15   1    -0.18   0.29  -0.09    -0.07  -0.43   0.05    -0.00  -0.00  -0.00
    16   1     0.16   0.01  -0.19     0.10  -0.08   0.54     0.00   0.00  -0.00
    17   1    -0.33  -0.04   0.49    -0.22  -0.22   0.10    -0.00  -0.01  -0.00
    18   1     0.22  -0.36   0.07     0.19  -0.10   0.37     0.00   0.00   0.01
    19   1    -0.36   0.25  -0.09     0.20   0.21  -0.04     0.00   0.01  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1808.2396              3012.7248              3027.7790
 Red. masses --      9.5529                 1.0814                 1.0392
 Frc consts  --     18.4034                 5.7831                 5.6132
 IR Inten    --    300.1219                 5.3406                22.5394
 RamAct Fr= 1--     16.8595               161.7170                13.1306
  Dep-P Fr= 1--      0.1780                 0.1922                 0.0816
  Dep-U Fr= 1--      0.3022                 0.3225                 0.1510
 Alpha2 Fr= 1--      0.2426                 2.2416                 0.2404
 Beta2  Fr= 1--      0.8490                 8.6920                 0.3304
 AlphaG Fr= 1--     -0.1719                 0.1026                 0.0401
 Gamma2 Fr= 1--      0.1809                -0.9903                 0.0529
 Delta2 Fr= 1--      0.3967                -2.1065                -0.5494
 Raman1 Fr= 1--      67.438                646.868                 52.522
 ROA1   Fr= 1--      30.059               -162.478                -12.505
 CID1   Fr= 1--       0.446                 -0.251                 -0.238
 Raman2 Fr= 1--      10.188                104.303                  3.965
 ROA2   Fr= 1--       1.167                 -6.915                  5.664
 CID2   Fr= 1--       0.115                 -0.066                  1.429
 Raman3 Fr= 1--      20.377                208.607                  7.929
 ROA3   Fr= 1--      30.059               -162.478                -12.505
 CID3   Fr= 1--       1.475                 -0.779                 -1.577
 RC180  Fr= 1--      -0.396                 -0.355                 -0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00   0.01    -0.00   0.02   0.01
     2   6    -0.01   0.01  -0.00     0.01  -0.01  -0.08     0.00  -0.00  -0.01
     3   6    -0.06  -0.03  -0.02    -0.00   0.00   0.01    -0.00   0.00   0.00
     4   6     0.47   0.29   0.44     0.00   0.00  -0.00     0.00   0.00   0.00
     5   8    -0.04  -0.02  -0.04     0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00   0.02     0.04  -0.00  -0.03
     7   7    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     8   8    -0.27  -0.18  -0.30    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   1     0.21   0.14   0.05     0.02  -0.01  -0.14     0.01  -0.00  -0.04
    10   1     0.01  -0.02   0.00    -0.12   0.15   0.93    -0.01   0.02   0.10
    11   1    -0.02   0.07   0.47     0.00  -0.00   0.00     0.00   0.00   0.00
    12   1     0.00   0.02   0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    13   1    -0.01  -0.03  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    14   1     0.01   0.01  -0.01     0.01   0.00   0.01    -0.32   0.20  -0.25
    15   1    -0.00  -0.00  -0.00     0.03  -0.04  -0.21    -0.10   0.12   0.63
    16   1    -0.01  -0.00   0.00     0.00   0.02   0.01    -0.00  -0.30  -0.05
    17   1    -0.01  -0.03  -0.02    -0.01   0.01  -0.00     0.19  -0.11   0.12
    18   1     0.01   0.01   0.04     0.02   0.00  -0.00    -0.21  -0.09   0.09
    19   1     0.04   0.01   0.01     0.01  -0.03  -0.14     0.03  -0.06  -0.36
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3033.0319              3070.8018              3084.7338
 Red. masses --      1.0380                 1.0857                 1.0993
 Frc consts  --      5.6262                 6.0321                 6.1630
 IR Inten    --     26.5189                10.7142                14.9337
 RamAct Fr= 1--    237.7404                60.7471                33.3067
  Dep-P Fr= 1--      0.0066                 0.0629                 0.6211
  Dep-U Fr= 1--      0.0132                 0.1184                 0.7663
 Alpha2 Fr= 1--      5.2018                 1.1635                 0.0785
 Beta2  Fr= 1--      0.5229                 1.1984                 4.2537
 AlphaG Fr= 1--     -0.2805                 0.2680                 0.0583
 Gamma2 Fr= 1--     -0.2613                 4.3558                17.6465
 Delta2 Fr= 1--     -0.4003                 3.8927                11.5661
 Raman1 Fr= 1--     950.962                242.989                133.227
 ROA1   Fr= 1--     -37.899                542.718               2064.179
 CID1   Fr= 1--      -0.040                  2.234                 15.494
 Raman2 Fr= 1--       6.275                 14.381                 51.044
 ROA2   Fr= 1--      -3.070                 73.397                330.987
 CID2   Fr= 1--      -0.489                  5.104                  6.484
 Raman3 Fr= 1--      12.550                 28.762                102.088
 ROA3   Fr= 1--     -37.899                542.718               2064.179
 CID3   Fr= 1--      -3.020                 18.870                 20.220
 RC180  Fr= 1--      -0.974                 -0.763                  0.533
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04  -0.02    -0.00  -0.00   0.01     0.00  -0.01   0.04
     2   6     0.00  -0.00  -0.01     0.00  -0.00  -0.01     0.00  -0.00  -0.01
     3   6    -0.00   0.00   0.01     0.01  -0.00  -0.08     0.00  -0.00  -0.01
     4   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     5   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.02  -0.00  -0.01     0.01  -0.00   0.01    -0.04   0.01  -0.07
     7   7     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     9   1     0.02  -0.01  -0.08    -0.15   0.06   0.95    -0.01   0.01   0.09
    10   1    -0.02   0.02   0.14    -0.01   0.02   0.12    -0.01   0.01   0.08
    11   1     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    13   1    -0.00   0.00   0.00     0.01   0.00  -0.02     0.00   0.00  -0.00
    14   1    -0.19   0.12  -0.15    -0.10   0.06  -0.07     0.52  -0.32   0.37
    15   1    -0.06   0.07   0.35     0.01  -0.01  -0.05    -0.10   0.11   0.52
    16   1    -0.01  -0.18  -0.03    -0.00  -0.05  -0.00    -0.00   0.14   0.00
    17   1    -0.33   0.20  -0.21    -0.05   0.03  -0.03    -0.19   0.11  -0.11
    18   1     0.39   0.17  -0.16     0.08   0.03  -0.03     0.14   0.06  -0.05
    19   1    -0.04   0.10   0.56     0.00  -0.01  -0.04     0.02  -0.05  -0.28
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3093.8185              3100.0374              3124.8359
 Red. masses --      1.0996                 1.1016                 1.0987
 Frc consts  --      6.2011                 6.2375                 6.3207
 IR Inten    --     49.4785                33.7244                13.5284
 RamAct Fr= 1--     84.9008                70.3306                56.4191
  Dep-P Fr= 1--      0.5476                 0.7071                 0.6137
  Dep-U Fr= 1--      0.7077                 0.8284                 0.7606
 Alpha2 Fr= 1--      0.3289                 0.0524                 0.1412
 Beta2  Fr= 1--     10.0140                 9.7106                 7.1524
 AlphaG Fr= 1--      0.2410                -0.0382                -0.0360
 Gamma2 Fr= 1--    -21.2243                 5.1820                -2.0936
 Delta2 Fr= 1--    -14.5245                 4.3019                -1.0556
 Raman1 Fr= 1--     339.603                281.323                225.676
 ROA1   Fr= 1--   -2502.315                635.130               -234.765
 CID1   Fr= 1--      -7.368                  2.258                 -1.040
 Raman2 Fr= 1--     120.168                116.527                 85.828
 ROA2   Fr= 1--    -393.187                 89.952                -41.801
 CID2   Fr= 1--      -3.272                  0.772                 -0.487
 Raman3 Fr= 1--     240.337                233.054                171.657
 ROA3   Fr= 1--   -2502.315                635.130               -234.765
 CID3   Fr= 1--     -10.412                  2.725                 -1.368
 RC180  Fr= 1--       0.415                  0.657                  0.521
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02  -0.08    -0.09   0.01  -0.01     0.00   0.00   0.00
     2   6     0.00  -0.00  -0.02    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.01     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   8    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.01   0.00  -0.03    -0.00  -0.00  -0.01     0.02  -0.09  -0.01
     7   7    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     8   8     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     9   1    -0.02   0.01   0.13     0.00  -0.00   0.00    -0.00   0.00   0.01
    10   1    -0.02   0.03   0.18    -0.00   0.00   0.01    -0.01   0.01   0.03
    11   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    13   1     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1     0.21  -0.13   0.15     0.05  -0.03   0.04    -0.23   0.13  -0.18
    15   1    -0.04   0.04   0.22    -0.01   0.01   0.04    -0.03   0.02   0.19
    16   1    -0.00   0.05   0.00     0.00   0.03   0.00     0.04   0.91   0.14
    17   1     0.29  -0.17   0.16     0.55  -0.34   0.35    -0.01   0.01  -0.00
    18   1    -0.44  -0.19   0.15     0.57   0.26  -0.23    -0.00  -0.00   0.00
    19   1    -0.04   0.13   0.63    -0.02   0.01   0.04     0.00   0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3490.3645              3569.0676              3729.6264
 Red. masses --      1.0484                 1.0938                 1.0642
 Frc consts  --      7.5251                 8.2089                 8.7218
 IR Inten    --      1.3575                 4.3036                66.7126
 RamAct Fr= 1--    105.0357                47.5460                94.9534
  Dep-P Fr= 1--      0.0855                 0.6658                 0.2244
  Dep-U Fr= 1--      0.1575                 0.7994                 0.3665
 Alpha2 Fr= 1--      1.9053                 0.0712                 1.2078
 Beta2  Fr= 1--      2.7569                 6.3344                 5.8004
 AlphaG Fr= 1--      0.3321                 0.0654                 0.1111
 Gamma2 Fr= 1--      0.9487                 0.0009                -0.5084
 Delta2 Fr= 1--      0.7142                -0.3708                 0.5744
 Raman1 Fr= 1--     420.143                190.184                379.814
 ROA1   Fr= 1--     113.930                -11.776                -30.423
 CID1   Fr= 1--       0.271                 -0.062                 -0.080
 Raman2 Fr= 1--      33.083                 76.012                 69.604
 ROA2   Fr= 1--      17.056                  2.988                -16.797
 CID2   Fr= 1--       0.516                  0.039                 -0.241
 Raman3 Fr= 1--      66.165                152.025                139.209
 ROA3   Fr= 1--     113.930                -11.776                -30.423
 CID3   Fr= 1--       1.722                 -0.077                 -0.219
 RC180  Fr= 1--      -0.685                  0.599                 -0.267
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.06  -0.03   0.01
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   7     0.04  -0.03  -0.02    -0.02   0.02  -0.08     0.00   0.00   0.00
     8   8     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   1    -0.00  -0.00   0.01    -0.00   0.00   0.02    -0.00  -0.00  -0.00
    10   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    11   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.90   0.41  -0.10
    12   1    -0.41   0.35  -0.40     0.48  -0.39   0.41     0.00  -0.00   0.00
    13   1    -0.16   0.08   0.72    -0.18   0.08   0.64     0.00  -0.00  -0.00
    14   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    15   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    17   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    18   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   633.433281171.676921443.30431
           X            0.99950  -0.02859  -0.01349
           Y            0.02838   0.99948  -0.01560
           Z            0.01393   0.01521   0.99979
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.13674     0.07392     0.06001
 Rotational constants (GHZ):           2.84914     1.54031     1.25042
 Zero-point vibrational energy     430915.6 (Joules/Mol)
                                  102.99130 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     72.12   104.55   240.99   306.48   323.30
          (Kelvin)            374.46   384.32   429.80   504.37   556.19
                              631.14   766.71   855.92   913.56  1112.99
                             1167.85  1219.80  1297.53  1345.52  1369.59
                             1408.48  1540.84  1586.64  1627.77  1693.74
                             1720.75  1797.31  1886.71  1927.20  1951.63
                             1979.57  2015.74  2020.42  2054.91  2141.98
                             2145.65  2167.18  2178.78  2388.54  2601.65
                             4334.64  4356.30  4363.86  4418.20  4438.24
                             4451.31  4460.26  4495.94  5021.86  5135.09
                             5366.10
 
 Zero-point correction=                           0.164127 (Hartree/Particle)
 Thermal correction to Energy=                    0.173697
 Thermal correction to Enthalpy=                  0.174641
 Thermal correction to Gibbs Free Energy=         0.129663
 Sum of electronic and zero-point Energies=           -402.405664
 Sum of electronic and thermal Energies=              -402.396094
 Sum of electronic and thermal Enthalpies=            -402.395150
 Sum of electronic and thermal Free Energies=         -402.440128
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  108.997             34.516             94.664
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.462
 Vibrational            107.219             28.555             26.015
 Vibration     1          0.595              1.978              4.812
 Vibration     2          0.599              1.967              4.080
 Vibration     3          0.624              1.882              2.463
 Vibration     4          0.644              1.821              2.018
 Vibration     5          0.649              1.803              1.921
 Vibration     6          0.668              1.745              1.660
 Vibration     7          0.672              1.733              1.615
 Vibration     8          0.692              1.676              1.424
 Vibration     9          0.727              1.574              1.164
 Vibration    10          0.755              1.499              1.013
 Vibration    11          0.799              1.386              0.831
 Vibration    12          0.888              1.177              0.581
 Vibration    13          0.953              1.043              0.459
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.228637D-59        -59.640854       -137.328142
 Total V=0       0.711703D+16         15.852299         36.501266
 Vib (Bot)       0.123935D-72        -72.906805       -167.874123
 Vib (Bot)    1  0.412382D+01          0.615300          1.416780
 Vib (Bot)    2  0.283720D+01          0.452890          1.042818
 Vib (Bot)    3  0.120415D+01          0.080682          0.185776
 Vib (Bot)    4  0.931283D+00         -0.030919         -0.071193
 Vib (Bot)    5  0.878519D+00         -0.056249         -0.129517
 Vib (Bot)    6  0.746183D+00         -0.127155         -0.292785
 Vib (Bot)    7  0.724566D+00         -0.139922         -0.322182
 Vib (Bot)    8  0.637083D+00         -0.195804         -0.450856
 Vib (Bot)    9  0.526116D+00         -0.278919         -0.642234
 Vib (Bot)   10  0.465554D+00         -0.332030         -0.764527
 Vib (Bot)   11  0.394504D+00         -0.403949         -0.930127
 Vib (Bot)   12  0.299309D+00         -0.523880         -1.206278
 Vib (Bot)   13  0.252319D+00         -0.598050         -1.377061
 Vib (V=0)       0.385787D+03          2.586347          5.955285
 Vib (V=0)    1  0.465402D+01          0.667829          1.537732
 Vib (V=0)    2  0.338092D+01          0.529035          1.218148
 Vib (V=0)    3  0.180383D+01          0.256197          0.589915
 Vib (V=0)    4  0.155702D+01          0.192294          0.442772
 Vib (V=0)    5  0.151084D+01          0.179218          0.412665
 Vib (V=0)    6  0.139821D+01          0.145574          0.335196
 Vib (V=0)    7  0.138034D+01          0.139986          0.322329
 Vib (V=0)    8  0.130986D+01          0.117225          0.269921
 Vib (V=0)    9  0.122581D+01          0.088423          0.203601
 Vib (V=0)   10  0.118318D+01          0.073052          0.168209
 Vib (V=0)   11  0.113689D+01          0.055720          0.128299
 Vib (V=0)   12  0.108274D+01          0.034524          0.079495
 Vib (V=0)   13  0.106006D+01          0.025330          0.058324
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.370492D+06          5.568779         12.822587
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3     3  3        33333333                                        1    1 11111111111 111 111                                    
     7     5  4        11000000                                        8    6 55444443333 211 110  9999 887    65 5   43322222 1     
     3     6  9        20987321                                        0    6 10982007531 497 307  7530 417    39 3   38596621 6  75 
     0     9  0        50451383                                        8    0 46198416691 967 131  9252 824    55 3   97197053 7  30 
 
     X     X  X        XXXXXXXX                                        X    X XXXXXXXXXXX XXX XXX  XXXX XXX    XX X   XXXXXXXX    XX 
     X                  XX  XX                                         X    X          X    X XX      X XX     XX                    
     X                   X                                             X                    X X       X XX     XX                    
     X                                                                 X                    X           XX      X                    
                                                                       X                    X            X      X                    
                                                                       X                    X                   X                    
                                                                       X                    X                                        
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000002364    0.000008364   -0.000003506
      2        6          -0.000002945   -0.000009678    0.000003667
      3        6           0.000002924   -0.000013778   -0.000005041
      4        6          -0.000004547    0.000003603   -0.000012835
      5        8          -0.000002952   -0.000003254    0.000009153
      6        6           0.000002797    0.000010544   -0.000002968
      7        7          -0.000006620    0.000000976   -0.000001468
      8        8           0.000005026    0.000003555    0.000000832
      9        1           0.000002883   -0.000002730   -0.000000041
     10        1          -0.000004172    0.000000848    0.000000958
     11        1           0.000002099    0.000001112   -0.000002274
     12        1          -0.000002178   -0.000001433    0.000004236
     13        1           0.000003747   -0.000000240    0.000004683
     14        1           0.000001026    0.000000602   -0.000000495
     15        1          -0.000000735    0.000001359    0.000001001
     16        1          -0.000000232   -0.000001171    0.000003035
     17        1           0.000000806    0.000000600   -0.000001403
     18        1          -0.000001030    0.000001914    0.000001580
     19        1           0.000001739   -0.000001191    0.000000886
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000013778 RMS     0.000004352
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.865441D+02  0.262350D+01  0.692416D+00
      2   0.262350D+01  0.782051D+02  0.128742D+01
      3   0.692416D+00  0.128742D+01  0.727573D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.151861D+00 -0.471991D+01  0.232964D+01
      2   0.183438D+01 -0.334014D+01  0.216453D+02
      3   0.586983D+01 -0.378875D+02  0.315586D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.775029D+02 -0.182830D+02  0.535975D+01
      2  -0.317254D+02  0.168348D+02  0.380573D+01
      3  -0.457774D+02  0.144818D+01 -0.916548D+01
      4  -0.239822D+02  0.665157D+02 -0.825876D+01
      5  -0.731307D+00 -0.918605D+01  0.266322D+02
      6  -0.315299D+01 -0.196327D+01 -0.130399D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.103462D+01  0.483213D+01 -0.325290D+01  0.430744D+01 -0.634426D+00
      2   0.483213D+01 -0.103128D+01  0.441294D+00 -0.634426D+00 -0.310877D+01
      3  -0.325290D+01  0.441294D+00 -0.979749D+00  0.315727D+00 -0.122865D+01
                 6             7             8             9            10 
      1   0.315727D+00 -0.362561D+01  0.463307D+00 -0.115795D+01  0.289276D+00
      2  -0.122865D+01  0.463307D+00 -0.179215D+01  0.283178D+01 -0.429823D+01
      3   0.215005D+01 -0.115795D+01  0.283178D+01  0.510858D+01  0.208143D+01
                11            12            13            14            15 
      1  -0.429823D+01  0.208143D+01 -0.572121D+01  0.100001D+01 -0.233692D+00
      2   0.146681D+01 -0.652429D-01  0.100001D+01  0.449172D+01  0.863744D+00
      3  -0.652429D-01  0.140811D+01 -0.233692D+00  0.863744D+00 -0.151380D+01
                16            17            18            19            20 
      1   0.379641D+01 -0.142265D+00  0.192357D+01 -0.108108D+01  0.432062D+01
      2  -0.142265D+00  0.145968D+01 -0.192181D+01  0.432062D+01 -0.674585D-01
      3   0.192357D+01 -0.192181D+01 -0.789548D+01 -0.236687D+01 -0.126667D+00
                21            22            23            24            25 
      1  -0.236687D+01  0.350706D+01 -0.144020D+01 -0.269916D+00 -0.279886D+01
      2  -0.126667D+00 -0.144020D+01 -0.380705D+01 -0.130293D+01  0.163713D+00
      3  -0.941679D+00 -0.269916D+00 -0.130293D+01  0.115346D+01 -0.148978D+01
                26            27            28            29            30 
      1   0.163713D+00 -0.148978D+01  0.736612D+00 -0.996896D-01  0.331901D+01
      2  -0.175243D+01  0.956885D+00 -0.996896D-01  0.215354D+01  0.126278D+01
      3   0.956885D+00  0.643959D+01  0.331901D+01  0.126278D+01  0.237803D+01
                31            32            33            34            35 
      1   0.955791D+00  0.829272D+00  0.143998D+01  0.426684D+01  0.152149D+01
      2   0.829272D+00  0.360671D+00  0.143917D+01  0.152149D+01  0.207307D+01
      3   0.143998D+01  0.143917D+01  0.107712D+01  0.197902D+01  0.567960D+00
                36            37            38            39            40 
      1   0.197902D+01  0.504400D+01  0.168998D+01 -0.749698D+00  0.251801D+01
      2   0.567960D+00  0.168998D+01  0.519059D+00 -0.897196D+00  0.407527D+00
      3   0.386004D+00 -0.749698D+00 -0.897196D+00  0.975051D+00 -0.115796D+01
                41            42            43            44            45 
      1   0.407527D+00 -0.115796D+01  0.628243D+00 -0.367521D+00 -0.807492D+00
      2   0.102951D+01  0.958986D+00 -0.367521D+00  0.174231D+01  0.186197D+00
      3   0.958986D+00  0.759820D+00 -0.807492D+00  0.186197D+00  0.477078D+01
                46            47            48            49            50 
      1   0.230080D+00  0.374992D+01 -0.271702D+01  0.451252D+01 -0.123357D+01
      2   0.374992D+01 -0.522953D+00  0.457082D+00 -0.123357D+01 -0.556799D+01
      3  -0.271702D+01  0.457082D+00 -0.227481D+01  0.616820D+00 -0.142241D+01
                51            52            53            54            55 
      1   0.616820D+00 -0.414608D+01  0.349017D+00 -0.320485D+01  0.264731D+01
      2  -0.142241D+01  0.349017D+00 -0.145164D+01  0.157539D+01 -0.245607D+01
      3   0.176542D+01 -0.320485D+01  0.157539D+01  0.535723D+01  0.125700D+01
                56            57            58            59            60 
      1  -0.245607D+01  0.125700D+01 -0.847758D+00  0.246527D+01 -0.412507D+00
      2   0.245877D+01 -0.603578D+00  0.246527D+01  0.456670D+01  0.112561D+01
      3  -0.603578D+00  0.249412D+01 -0.412507D+00  0.112561D+01 -0.101173D+01
                61            62            63            64            65 
      1   0.177016D+01 -0.750928D+00  0.271862D+01 -0.730598D+01 -0.251232D+01
      2  -0.750928D+00  0.107800D+01 -0.910423D+00 -0.251232D+01 -0.276715D+01
      3   0.271862D+01 -0.910423D+00 -0.322948D+01 -0.406014D+01 -0.104316D+01
                66            67            68            69            70 
      1  -0.406014D+01 -0.307304D+01 -0.221264D+01 -0.111316D+01 -0.523821D+01
      2  -0.104316D+01 -0.221264D+01 -0.305800D+01 -0.269449D+01 -0.152530D+01
      3  -0.338193D+01 -0.111316D+01 -0.269449D+01 -0.188301D+01 -0.375433D+01
                71            72            73            74            75 
      1  -0.152530D+01 -0.375433D+01  0.551092D+00 -0.578676D+00 -0.927764D+00
      2  -0.342300D+01 -0.194447D+01 -0.578676D+00  0.375203D+00  0.218104D-01
      3  -0.194447D+01 -0.688316D+01 -0.927764D+00  0.218104D-01  0.884231D+00
                76            77            78            79            80 
      1  -0.711113D+00  0.234489D+00  0.411938D-01 -0.137485D+01  0.147780D+00
      2   0.234489D+00  0.385367D+00 -0.102834D+01  0.147780D+00 -0.141140D+01
      3   0.411938D-01 -0.102834D+01 -0.313510D+00  0.486306D+00  0.382798D-01
                81            82            83            84            85 
      1   0.486306D+00 -0.753292D+00  0.903734D+00  0.104430D+01  0.998907D+00
      2   0.382798D-01  0.903734D+00 -0.369998D+00 -0.278495D-01 -0.263715D+00
      3  -0.719528D+01  0.104430D+01 -0.278495D-01 -0.493940D+00 -0.286599D-01
                86            87            88            89            90 
      1  -0.263715D+00 -0.286599D-01  0.137686D+01 -0.831242D-01 -0.409948D+00
      2  -0.130702D+00  0.119594D+01 -0.831242D-01  0.161690D+01  0.868500D+00
      3   0.119594D+01  0.928511D+00 -0.409948D+00  0.868500D+00  0.827776D+01
                91            92            93            94            95 
      1  -0.698774D+01 -0.170720D+01  0.274690D+01 -0.248736D+01 -0.140189D+01
      2  -0.170720D+01 -0.134629D+01  0.704430D+00 -0.140189D+01 -0.944816D+00
      3   0.274690D+01  0.704430D+00 -0.225984D+01  0.108295D+01  0.805105D+00
                96            97            98            99           100 
      1   0.108295D+01  0.942861D+00  0.204168D+00 -0.989793D+00 -0.231578D+01
      2   0.805105D+00  0.204168D+00  0.405702D+00 -0.308959D+00  0.268063D+01
      3  -0.979617D+00 -0.989793D+00 -0.308959D+00  0.143733D+01 -0.117121D+01
               101           102           103           104           105 
      1   0.268063D+01 -0.117121D+01  0.218400D+01 -0.230108D+01  0.862200D+00
      2  -0.346657D+01  0.117697D+01 -0.230108D+01  0.440687D+01 -0.133859D+01
      3   0.117697D+01 -0.122689D+01  0.862200D+00 -0.133859D+01  0.116825D+01
               106           107           108           109           110 
      1  -0.190477D+01  0.149280D+01 -0.137024D+01 -0.283743D+00  0.834812D+00
      2   0.149280D+01 -0.276553D+01  0.174267D+01  0.834812D+00 -0.648537D+00
      3  -0.137024D+01  0.174267D+01 -0.173931D+01  0.460375D+00 -0.553791D+00
               111           112           113           114           115 
      1   0.460375D+00  0.615671D+00 -0.262841D+00 -0.411423D+00  0.130898D+01
      2  -0.553791D+00 -0.262841D+00  0.122298D+01  0.859475D+00 -0.587939D+00
      3  -0.971382D+00 -0.411423D+00  0.859475D+00  0.961889D+00 -0.115088D+01
               116           117           118           119           120 
      1  -0.587939D+00 -0.115088D+01  0.728494D+01 -0.175905D+01  0.250046D+01
      2   0.245750D+01  0.199975D+01 -0.175905D+01  0.128851D+01 -0.550598D+00
      3   0.199975D+01  0.517859D+01  0.250046D+01 -0.550598D+00  0.185878D+01
               121           122           123           124           125 
      1  -0.340561D+01  0.172629D+01 -0.803258D+00  0.399429D+01 -0.618277D+00
      2   0.172629D+01 -0.917388D+00  0.935888D+00 -0.618277D+00  0.113419D+01
      3  -0.803258D+00  0.935888D+00 -0.104812D+01  0.250110D+01 -0.837663D+00
               126           127           128           129           130 
      1   0.250110D+01  0.144088D+01 -0.419469D+00 -0.116862D+01 -0.108593D+01
      2  -0.837663D+00 -0.419469D+00  0.263124D+00  0.441474D-01  0.590281D+00
      3   0.173819D+01 -0.116862D+01  0.441474D-01  0.123532D+01  0.275673D+00
               131           132           133           134           135 
      1   0.590281D+00  0.275673D+00 -0.256785D+01 -0.881163D-01  0.270330D+01
      2   0.127985D+00 -0.890802D+00 -0.881163D-01 -0.126061D+01 -0.375709D+00
      3  -0.890802D+00 -0.967137D+00  0.270330D+01 -0.375709D+00 -0.713077D+01
               136           137           138           139           140 
      1   0.283048D+00  0.119511D+01  0.435202D+00  0.235579D+01  0.186744D+01
      2   0.119511D+01  0.102913D+01  0.604285D-01  0.186744D+01  0.800516D+01
      3   0.435202D+00  0.604285D-01  0.302503D+00  0.424887D-01  0.664407D+00
               141           142           143           144           145 
      1   0.424887D-01  0.823841D+00  0.150718D+00  0.739833D+00  0.456394D+01
      2   0.664407D+00  0.150718D+00  0.882771D+00  0.918856D+00 -0.320647D+01
      3   0.997644D+00  0.739833D+00  0.918856D+00 -0.695948D-01  0.184933D+01
               146           147           148           149           150 
      1  -0.320647D+01  0.184933D+01 -0.234069D+01  0.242904D+01 -0.822580D+00
      2   0.344710D+01 -0.109340D+01  0.242904D+01 -0.349105D+01  0.141329D+01
      3  -0.109340D+01  0.157168D+01 -0.822580D+00  0.141329D+01 -0.115617D+01
               151           152           153           154           155 
      1   0.220607D+01 -0.121826D+01  0.158009D+01 -0.562305D+01 -0.220116D+01
      2  -0.121826D+01  0.225292D+01 -0.173310D+01 -0.220116D+01 -0.315815D+01
      3   0.158009D+01 -0.173310D+01  0.142626D+01  0.137512D+01  0.662756D+00
               156           157           158           159           160 
      1   0.137512D+01 -0.165398D+01 -0.204629D+01  0.514713D+00  0.167379D+01
      2   0.662756D+00 -0.204629D+01 -0.244533D+01  0.889475D+00  0.614515D+00
      3  -0.109301D+01  0.514713D+00  0.889475D+00 -0.837625D+00 -0.957390D+00
               161           162           163           164           165 
      1   0.614515D+00 -0.957390D+00  0.244882D+00 -0.968604D+00 -0.654901D+00
      2   0.145481D+01 -0.119037D+01 -0.968604D+00  0.377133D+00  0.129777D+00
      3  -0.119037D+01  0.615000D+00 -0.654901D+00  0.129777D+00  0.515405D+00
               166           167           168           169           170 
      1  -0.628485D+00  0.247029D+00  0.614157D-01 -0.113212D+01  0.274221D+00
      2   0.247029D+00 -0.112588D+01 -0.124489D+01  0.274221D+00 -0.270112D+01
      3   0.614157D-01 -0.124489D+01 -0.125144D+01  0.660790D+00 -0.246378D+01
               171 
      1   0.660790D+00
      2  -0.246378D+01
      3  -0.659225D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.678377D+01  0.810652D+00 -0.175841D+01  0.396986D+00 -0.514120D+01
      2  -0.390927D+01  0.104461D+01  0.845765D+00  0.388242D+00 -0.110568D+01
      3  -0.900130D+01 -0.141163D+02  0.664264D+01 -0.741950D+01  0.538959D+01
                 6             7             8             9            10 
      1   0.265134D+01 -0.258381D+01  0.988550D+01  0.108222D+02 -0.331916D+00
      2   0.246345D+01 -0.326732D+01  0.339167D+01  0.610628D+01  0.327706D+01
      3   0.835130D+00  0.743479D+01  0.675975D+00 -0.135124D+01  0.724638D+01
                11            12            13            14            15 
      1  -0.117763D+00  0.395532D+00 -0.110609D+01  0.238354D+01 -0.317488D+01
      2  -0.295696D-01  0.485452D+01 -0.779722D+00  0.820253D+00 -0.224041D+01
      3  -0.368548D+01  0.201583D+00  0.294494D+01 -0.604736D+01 -0.132650D+01
                16            17            18            19            20 
      1   0.726971D+00  0.368517D+01 -0.264596D+01 -0.130102D+01 -0.187364D+01
      2  -0.221722D+01 -0.255719D+01 -0.104760D+02  0.309420D+01 -0.244951D+00
      3   0.176029D+01 -0.209663D+01  0.244090D+01 -0.156082D+01 -0.386615D+01
                21            22            23            24            25 
      1  -0.183617D+00 -0.127869D+01  0.267349D+01 -0.764090D-01  0.603932D+00
      2   0.737387D+00  0.203109D+01 -0.585297D+00  0.283010D+00 -0.641244D+01
      3  -0.436654D+00  0.137940D+01 -0.459045D+01  0.201764D+01 -0.327216D+01
                26            27            28            29            30 
      1   0.504217D+01 -0.307204D+01 -0.215701D+01 -0.335903D+01  0.342440D+01
      2   0.359269D+00 -0.958093D+00 -0.350148D+01 -0.145206D+00 -0.553249D+00
      3   0.209879D+01 -0.117752D+01 -0.855775D+01  0.564162D+01  0.861004D+00
                31            32            33            34            35 
      1   0.212534D+01 -0.134797D+01 -0.886891D+01  0.158303D+01 -0.546182D+01
      2   0.337297D+01 -0.169745D+01 -0.595100D+01 -0.448516D+00 -0.301377D+01
      3   0.185464D+02  0.119667D+02 -0.650989D+00 -0.679680D+00 -0.219006D+01
                36            37            38            39            40 
      1   0.370684D+01  0.203335D+01 -0.304600D+00 -0.369676D+00  0.298909D+00
      2  -0.271390D+01 -0.388742D+01 -0.103730D+00  0.112466D+01 -0.979077D+00
      3   0.945400D+00  0.336959D+01 -0.775182D+00 -0.161985D+01  0.694617D+00
                41            42            43            44            45 
      1   0.656098D+00 -0.499444D+00  0.567165D-01  0.535003D+01  0.469304D+00
      2  -0.327904D+01 -0.423277D+00 -0.650071D+01 -0.156265D+01 -0.853340D+01
      3   0.460944D+00  0.310455D+01  0.295883D+00  0.275033D+01  0.785275D+00
                46            47            48            49            50 
      1   0.117706D+01  0.449852D+00  0.726202D+00  0.136622D+01  0.192877D+01
      2  -0.938856D+01  0.126750D+01 -0.526414D+01  0.217891D+01 -0.423478D+01
      3  -0.990181D+01  0.134547D+01 -0.231832D+01  0.103630D+02  0.177091D+02
                51            52            53            54            55 
      1  -0.265502D+01  0.144252D+01  0.145273D+01 -0.267432D+01 -0.156374D+01
      2   0.475904D+01 -0.135298D+02  0.397374D+01  0.149437D+02  0.103300D+01
      3   0.369438D+01 -0.354383D+01  0.439072D+01 -0.616262D+01  0.664449D+01
                56            57            58            59            60 
      1   0.299754D+01 -0.718239D+01  0.226383D+01 -0.411060D+01 -0.243419D+01
      2   0.154735D+01  0.428778D+01 -0.340504D-01  0.488570D+00  0.980070D+00
      3  -0.117360D+02  0.183877D+01  0.241918D+01  0.549138D+01 -0.236863D+01
                61            62            63            64            65 
      1  -0.695953D+01  0.774780D+01  0.794849D+01  0.214659D+01  0.616263D+01
      2  -0.192000D+01  0.421219D+00 -0.980115D+00 -0.220035D+00  0.373251D-01
      3   0.347455D+01 -0.201872D+01  0.661416D+01  0.244412D+01 -0.755946D+01
                66            67            68            69            70 
      1  -0.266413D+01 -0.590333D+00  0.249239D+01 -0.135261D+01  0.366644D+00
      2   0.884006D+01 -0.373220D+01  0.392551D+01  0.518010D+01 -0.228865D+01
      3  -0.679516D+00 -0.303285D+01 -0.807444D+01 -0.246584D+01 -0.104298D-01
                71            72            73            74            75 
      1   0.808779D+01 -0.213687D+01  0.103130D+01 -0.339353D+00 -0.317314D+00
      2   0.325412D+01  0.115214D+02  0.609494D+00 -0.495373D+00  0.574575D+00
      3  -0.178918D+01 -0.227956D+01  0.593332D+00 -0.769934D+00 -0.567292D+00
                76            77            78            79            80 
      1  -0.350292D-01  0.414881D+00 -0.186716D+00 -0.595401D+00  0.332542D+01
      2  -0.722168D+00  0.291735D+00 -0.696002D-01 -0.365763D+01  0.249945D+00
      3   0.984175D+00  0.242987D-01 -0.105658D+00 -0.452646D+00  0.107583D+00
                81            82            83            84            85 
      1   0.361294D+01  0.100260D+01 -0.567946D+00 -0.200332D+00 -0.209433D+00
      2   0.780684D+00  0.260175D+01 -0.598223D+00 -0.555761D+00 -0.105215D+01
      3   0.930155D-02 -0.900819D+00 -0.744970D+00 -0.310625D+00  0.127555D+01
                86            87            88            89            90 
      1   0.624497D+00 -0.273696D+00 -0.594833D+00  0.393899D+01  0.238941D+01
      2   0.189824D+01  0.117222D+01 -0.457384D+01  0.147443D+01  0.104610D+02
      3   0.149477D+00 -0.129868D+01 -0.165921D+00 -0.158991D+01 -0.665019D+00
                91            92            93            94            95 
      1  -0.144453D+01 -0.178061D+01  0.154542D-01 -0.127377D+01 -0.137635D+01
      2   0.275023D+01  0.430942D+00  0.270961D+01  0.919186D+00 -0.154917D+00
      3  -0.182593D+01 -0.381405D+01  0.114721D+01 -0.145226D+01 -0.257760D+01
                96            97            98            99           100 
      1  -0.841540D-01  0.580384D+00  0.750881D+00 -0.336239D+00  0.254967D+01
      2   0.120490D+01 -0.465926D+00  0.682348D-01 -0.797616D+00 -0.137871D+01
      3   0.819304D+00  0.560516D+00  0.794049D+00 -0.456938D+00 -0.644740D+01
               101           102           103           104           105 
      1  -0.245562D+01  0.396674D+01 -0.231445D+01  0.224233D+01 -0.335264D+01
      2  -0.418206D-01  0.732941D+00  0.188502D+00 -0.253581D-01 -0.595243D+00
      3   0.464991D+01 -0.292959D+01  0.682075D+01 -0.466577D+01  0.238627D+01
               106           107           108           109           110 
      1   0.333378D+01 -0.234658D+01  0.362394D+01 -0.126554D+01  0.108512D+01
      2  -0.111327D+01 -0.188730D+00  0.372693D+00  0.685256D+00  0.791666D-01
      3  -0.540226D+01  0.322633D+01 -0.356729D+01 -0.797933D+00  0.839345D+00
               111           112           113           114           115 
      1   0.338162D+01  0.943281D+00 -0.237939D+01 -0.255044D+01  0.328868D+01
      2  -0.103702D+00  0.218810D+00 -0.845405D-01 -0.145265D+00 -0.239524D+01
      3   0.889052D+00  0.175508D+01 -0.879156D+00 -0.104257D+01  0.343982D+01
               116           117           118           119           120 
      1  -0.302695D+01 -0.131799D+02 -0.641291D+00  0.689715D+00 -0.282530D-01
      2   0.948990D-01  0.475712D+00  0.663205D+01 -0.190090D+01  0.753575D+01
      3  -0.133135D+01 -0.342570D+01  0.707146D+01 -0.664698D+01  0.287096D+01
               121           122           123           124           125 
      1   0.610070D-02 -0.743831D+00 -0.520095D+00 -0.408955D+00  0.163395D+01
      2  -0.202042D+01  0.261485D+01 -0.402995D+01  0.560475D+01 -0.266672D+01
      3  -0.475431D+01  0.410028D+01 -0.285728D+01  0.299020D+01 -0.454726D+01
               126           127           128           129           130 
      1  -0.963523D-01  0.576763D+00 -0.382489D+00 -0.754894D+00 -0.762912D-01
      2   0.555261D+01 -0.285696D+01  0.817159D-01  0.455984D+01  0.196598D+00
      3   0.341237D+01  0.165229D+01 -0.184308D+01 -0.678607D+00 -0.998241D+00
               131           132           133           134           135 
      1   0.659286D+00 -0.226581D+00 -0.930147D+00  0.322652D+01  0.304288D+01
      2  -0.225563D+01 -0.269329D+01  0.395208D+01 -0.136515D+01 -0.206104D+02
      3  -0.859772D-01  0.218110D+01 -0.463248D+00  0.414300D+01  0.259236D+01
               136           137           138           139           140 
      1  -0.235080D+00 -0.285136D+00 -0.543198D+00 -0.134661D+00 -0.803307D+00
      2   0.135604D+01  0.424833D-01  0.122340D+01 -0.131454D+00  0.211910D+01
      3  -0.347793D+01 -0.215931D+01  0.489794D-01  0.762458D-01 -0.233560D+02
               141           142           143           144           145 
      1  -0.270550D+01 -0.655533D+00  0.422439D+00  0.649735D-01  0.357822D+01
      2   0.339756D+01  0.503820D+00  0.239296D+01 -0.315921D+00  0.110523D+01
      3  -0.199119D+01  0.376612D+00 -0.250708D+01 -0.167582D+01 -0.650171D+01
               146           147           148           149           150 
      1  -0.124845D+01  0.432654D+01 -0.162152D+01  0.220651D+01 -0.351453D+01
      2  -0.104873D+01  0.334107D+01 -0.371100D+00  0.142865D+01 -0.202898D+01
      3   0.116269D+00 -0.268448D+01  0.419923D+01 -0.323447D+00  0.289452D+00
               151           152           153           154           155 
      1   0.311528D+01 -0.170495D+01  0.290671D+01  0.286219D+01  0.451919D+00
      2   0.307158D+00 -0.194369D+01  0.192812D+01  0.301993D+01  0.633281D+00
      3  -0.415577D+01 -0.847654D+00 -0.104940D+01  0.176045D+02  0.541076D+01
               156           157           158           159           160 
      1  -0.327851D+01  0.684848D+00  0.121199D+01 -0.260447D+01 -0.230693D+01
      2   0.379355D+00  0.629183D+00  0.114783D+01 -0.128137D-01 -0.266550D+01
      3  -0.385678D+01  0.739000D+01  0.599909D+01 -0.207478D+01 -0.482860D+01
               161           162           163           164           165 
      1  -0.962870D+00  0.115269D+01 -0.123385D+01  0.672124D-01  0.104423D+01
      2  -0.111058D+01  0.459494D+00 -0.677600D+00  0.922550D-01  0.112140D+01
      3  -0.217951D+01  0.321272D+01  0.103162D+01  0.604556D+00  0.937039D+00
               166           167           168           169           170 
      1   0.210574D+00 -0.223925D+01 -0.396233D+01  0.125282D+01 -0.193721D+01
      2  -0.301154D+00 -0.131204D+01 -0.125053D+01 -0.218545D+01 -0.258906D+01
      3   0.208227D+01  0.626519D+00  0.119842D+01  0.264186D+01  0.291058D+01
               171 
      1  -0.149542D+02
      2  -0.756047D+01
      3   0.179862D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.954862D+01  0.107910D+02 -0.755589D+01  0.896379D+01 -0.109369D+02
      2  -0.169566D+02 -0.374113D+01  0.299202D+01 -0.306986D+01  0.144276D+02
      3   0.740797D+01 -0.704988D+01  0.456387D+01 -0.589393D+01 -0.349064D+01
      4   0.757768D+01 -0.206869D+02  0.131775D+02 -0.177103D+02 -0.308971D+01
      5  -0.706797D+01  0.598855D+01 -0.495384D+01  0.408176D+01 -0.360449D+01
      6   0.159325D+02 -0.188039D+01  0.408450D+01 -0.168744D+01  0.758189D+01
                 6             7             8             9            10 
      1  -0.847932D+00 -0.835307D+01  0.172566D+00  0.487161D+01 -0.115632D+02
      2   0.522054D+01  0.238718D+01  0.640150D+01 -0.499513D+01  0.869598D+01
      3  -0.437261D+01  0.596590D+01 -0.657407D+01  0.123526D+00  0.286720D+01
      4  -0.406655D+01  0.128525D+02 -0.591939D+01  0.968985D+01 -0.122911D+02
      5   0.552084D+01 -0.583857D+01  0.745084D+01  0.118824D+02  0.553086D+01
      6  -0.898988D+01  0.498946D+01 -0.130808D+02 -0.191122D+02 -0.235098D+01
                11            12            13            14            15 
      1  -0.132111D+02  0.408024D+01 -0.158292D+02  0.974552D+01  0.180528D+01
      2   0.676156D+01 -0.437387D+01  0.932569D+01 -0.110758D+02  0.145946D+00
      3   0.644951D+01  0.293625D+00  0.650347D+01  0.133031D+01 -0.195123D+01
      4   0.458161D+01 -0.112018D+01  0.498922D+01  0.907778D+01  0.211927D+01
      5  -0.948921D-01  0.311281D+01 -0.759377D-01  0.199042D+01 -0.436667D+01
      6   0.436985D+00 -0.106215D+01  0.913045D+00 -0.204540D+01  0.592226D+00
                16            17            18            19            20 
      1   0.884826D+01  0.243181D+01  0.984687D+01 -0.119908D+02 -0.288005D+01
      2  -0.482089D+01  0.825741D-02  0.640258D+01  0.122226D+02  0.586623D+01
      3  -0.402737D+01 -0.244007D+01 -0.162494D+02 -0.231809D+00 -0.298617D+01
      4  -0.160067D+01  0.259631D+01 -0.442784D+01  0.266282D+01  0.166119D+01
      5   0.695442D+01 -0.385619D+01 -0.181697D+02  0.521935D+01  0.725361D+00
      6  -0.560376D+00  0.396941D+01  0.398338D+00  0.103984D+01 -0.347833D+00
                21            22            23            24            25 
      1   0.147530D+01  0.579262D+01  0.929432D+01  0.469911D+01 -0.369650D+01
      2  -0.264945D+01 -0.499415D+01 -0.172872D+02 -0.237588D+01 -0.277014D+00
      3   0.117416D+01 -0.798465D+00  0.799289D+01 -0.232324D+01  0.397351D+01
      4   0.201224D+01 -0.863077D+01  0.111361D+00  0.110203D+01  0.854508D+00
      5   0.154233D-01  0.259144D+01  0.366518D+01  0.336143D+00  0.345297D+00
      6   0.360922D+00  0.129499D+01 -0.478103D+00 -0.214210D+01 -0.282387D+00
                26            27            28            29            30 
      1   0.353156D+01  0.610637D+01 -0.952954D+01  0.472744D-01 -0.675902D+01
      2  -0.429454D+01  0.817333D+01  0.958802D+01 -0.240482D+00  0.582050D+01
      3   0.762980D+00 -0.142797D+02 -0.584737D-01  0.193208D+00  0.938524D+00
      4  -0.245436D+01  0.217462D+00 -0.530752D+01 -0.539642D+01 -0.592660D+01
      5   0.824293D+00  0.222446D+01 -0.166578D+02 -0.673117D+01 -0.182888D+02
      6   0.162944D+01  0.599360D+01 -0.445029D+01 -0.333387D+01 -0.548463D+01
                31            32            33            34            35 
      1  -0.407422D+01 -0.313663D+01 -0.362210D+01 -0.181225D+02 -0.667333D+01
      2   0.697083D+00  0.503095D+01  0.479392D+01  0.803513D+01 -0.709677D+00
      3   0.337713D+01 -0.189431D+01 -0.117182D+01  0.100874D+02  0.738300D+01
      4   0.301049D+01 -0.970643D+01 -0.262829D+01 -0.113260D+02 -0.522808D+01
      5  -0.100587D+02 -0.579521D+01 -0.104819D+02 -0.191074D+02 -0.316708D+01
      6  -0.128948D+01 -0.516362D+01  0.238710D+00 -0.567775D+00 -0.853538D+01
                36            37            38            39            40 
      1  -0.335200D+01 -0.152744D+02 -0.697993D+01  0.330063D+01 -0.110781D+02
      2   0.695381D+01  0.670945D+01  0.286798D+01 -0.689920D+00  0.671808D+01
      3  -0.360181D+01  0.856498D+01  0.411195D+01 -0.261071D+01  0.436000D+01
      4  -0.326508D+01 -0.108014D+02  0.486862D+00  0.498446D+01  0.153702D+00
      5  -0.578570D+01  0.924926D+01  0.708412D+01  0.187000D+01  0.849195D+01
      6  -0.257716D+01  0.516448D+01  0.609053D+00 -0.182099D+01  0.176667D+01
                41            42            43            44            45 
      1  -0.576319D+01  0.479213D+01  0.941161D+00  0.892109D+00 -0.112778D+02
      2   0.490106D+01 -0.400422D+01  0.391530D+01  0.235953D+01 -0.109996D+02
      3   0.862130D+00 -0.787908D+00 -0.485646D+01 -0.325164D+01  0.222773D+02
      4  -0.367115D+01 -0.424151D+01  0.407238D+01 -0.369815D+01 -0.306349D+01
      5  -0.289424D+01 -0.387827D+01  0.110717D+02 -0.237402D+01 -0.200816D+02
      6   0.138968D+01  0.602818D+01 -0.225537D+01  0.862782D+01 -0.159380D+01
                46            47            48            49            50 
      1  -0.113772D+01  0.217868D+02 -0.176631D+02  0.256754D+02 -0.306600D+01
      2   0.158800D+01 -0.131859D+02  0.844508D+01 -0.166920D+02 -0.498061D+01
      3  -0.450282D+00 -0.860095D+01  0.921804D+01 -0.898339D+01  0.804661D+01
      4   0.216856D+02 -0.290947D+01  0.233910D+01 -0.654297D+01 -0.255269D+02
      5  -0.194092D+02  0.314215D+01 -0.137278D+02  0.403604D+01 -0.907159D+01
      6  -0.356758D-01 -0.318189D+00  0.274382D+00 -0.144579D+01 -0.228870D+01
                51            52            53            54            55 
      1   0.568284D+01 -0.230788D+02  0.344677D+01 -0.123402D+02  0.157913D+02
      2  -0.308379D+01  0.945052D+01 -0.178229D+01  0.144617D+02 -0.145996D+02
      3  -0.259905D+01  0.136283D+02 -0.166448D+01 -0.212158D+01 -0.119172D+01
      4  -0.722489D+01  0.309456D+01 -0.616790D+01  0.820552D+01  0.785185D+01
      5   0.103185D+02 -0.200905D+02  0.895828D+01  0.279498D+02 -0.215949D+01
      6   0.997225D+00  0.725170D-01 -0.553251D+00  0.157068D+01  0.527849D+01
                56            57            58            59            60 
      1  -0.473222D+01  0.332670D+00 -0.675347D+01 -0.179752D+02 -0.374133D+01
      2   0.930278D+01 -0.236267D+01  0.122977D+02  0.303968D+02  0.486771D+01
      3  -0.457057D+01  0.203000D+01 -0.554421D+01 -0.124216D+02 -0.112639D+01
      4  -0.504822D+01  0.386727D+01  0.206025D+01  0.114657D+02 -0.361128D+01
      5   0.201327D+01  0.118947D+01  0.178220D+00 -0.338132D+01  0.158276D+01
      6  -0.430671D+01  0.114714D+02 -0.459489D+01  0.544051D+01  0.109141D+01
                61            62            63            64            65 
      1   0.173103D+01 -0.839685D+00  0.196837D+01  0.390510D+02  0.811553D+01
      2  -0.246632D+01  0.512186D+01 -0.249465D+01 -0.250884D+02 -0.375220D+01
      3   0.735288D+00 -0.428217D+01  0.526281D+00 -0.139626D+02 -0.436333D+01
      4   0.429176D+01 -0.351777D+01  0.973934D+01  0.129485D+02  0.157204D+02
      5   0.203675D+01  0.329746D+01  0.354742D+00  0.273885D+02  0.642545D+01
      6   0.130817D+02 -0.186041D+01 -0.127057D+02  0.489827D+01  0.632980D+01
                66            67            68            69            70 
      1   0.128172D+02  0.567930D+01  0.887527D-01 -0.493274D+00  0.167722D+02
      2  -0.114766D+02 -0.860049D+00  0.635798D+01  0.269983D+00 -0.158237D+02
      3  -0.134064D+01 -0.481925D+01 -0.644673D+01  0.223290D+00 -0.948542D+00
      4   0.640873D+01  0.170346D+02  0.170468D+02  0.109799D+02  0.824890D+01
      5   0.275516D+02  0.825779D+01  0.125060D+02  0.111746D+02  0.280335D+02
      6   0.495015D+01  0.485312D+01  0.885702D+01  0.113313D+02  0.499823D+01
                71            72            73            74            75 
      1   0.219167D+01  0.141974D+01  0.936305D+00 -0.109469D+00  0.172548D+00
      2  -0.263469D+01 -0.144299D+02 -0.424414D+01  0.706907D-01  0.132106D+01
      3   0.443020D+00  0.130102D+02  0.330783D+01  0.387781D-01 -0.149361D+01
      4   0.106242D+02  0.748206D+01  0.546909D+00  0.132830D+01 -0.115247D+01
      5   0.922262D+01  0.344792D+02 -0.218103D+01 -0.259254D+00  0.588533D+01
      6   0.122399D+02  0.869080D+01 -0.123340D+01 -0.669366D+00  0.731401D+00
                76            77            78            79            80 
      1   0.122441D+00 -0.395409D+01 -0.149807D+00  0.575155D+00  0.151589D+01
      2   0.228310D+00  0.106416D+01 -0.153444D+01  0.184679D+01 -0.216708D+01
      3  -0.350751D+00  0.288993D+01  0.168425D+01 -0.242195D+01  0.651192D+00
      4   0.170670D+01 -0.121677D+00 -0.494732D+00 -0.627489D+00 -0.939962D-01
      5   0.806105D-02 -0.963826D+00 -0.527155D+00  0.434312D+01  0.273913D+00
      6  -0.485315D+00 -0.469299D+00  0.548908D+01  0.258806D+00  0.406676D+01
                81            82            83            84            85 
      1  -0.152022D+02  0.128703D+01  0.228139D+01  0.284356D+01  0.280823D+01
      2  -0.138615D+02 -0.433268D+01 -0.824925D+00 -0.493144D-02 -0.149065D+01
      3   0.290637D+02  0.304565D+01 -0.145646D+01 -0.283863D+01 -0.131758D+01
      4   0.867744D+00  0.216013D+01  0.643240D+00  0.705418D-01  0.100557D+01
      5  -0.304746D+01  0.969496D+00  0.255876D+00  0.474041D+01  0.827186D-01
      6  -0.721387D+01  0.967332D-01 -0.354202D+00 -0.325741D+00 -0.248919D+00
                86            87            88            89            90 
      1  -0.467515D+01 -0.135073D+01  0.423682D+01 -0.763739D+00 -0.167405D+02
      2   0.121934D+01 -0.129224D+01 -0.139332D+01 -0.235314D+01 -0.150608D+02
      3   0.345581D+01  0.264297D+01 -0.284349D+01  0.311688D+01  0.318013D+02
      4  -0.438408D+00  0.233101D+01  0.459839D+00  0.290250D+01  0.234862D+01
      5   0.250663D+01  0.185949D+01  0.297071D+01  0.180396D+01  0.174038D+02
      6   0.170271D+01  0.639332D+01  0.369839D-01  0.390498D+01  0.759825D-01
                91            92            93            94            95 
      1   0.329675D+02  0.725752D+01 -0.107140D+02  0.907861D+01  0.427251D+01
      2  -0.190231D+02 -0.376522D+01  0.806323D+01 -0.416463D+01 -0.982544D+00
      3  -0.139444D+02 -0.349230D+01  0.265072D+01 -0.491397D+01 -0.328997D+01
      4   0.974675D+01  0.678601D+01 -0.396756D+01  0.932394D+01  0.562175D+01
      5  -0.217869D+02 -0.551457D+01  0.136706D+02 -0.802983D+01 -0.510497D+01
      6  -0.488278D+01 -0.306756D+01  0.275296D+01 -0.382591D+01 -0.268759D+01
                96            97            98            99           100 
      1  -0.345237D+01 -0.134552D+01  0.464364D-02  0.251446D+01 -0.221220D+01
      2   0.256704D+01  0.330855D+01  0.784974D+00 -0.387868D+01  0.821179D+01
      3   0.885327D+00 -0.196303D+01 -0.789618D+00  0.136422D+01 -0.599959D+01
      4  -0.391514D+01 -0.881156D+00 -0.102154D+01  0.152771D+01 -0.115426D+02
      5   0.544175D+01  0.727386D+01  0.186581D+01 -0.738718D+01  0.343158D+01
      6   0.293367D+01  0.120824D+01  0.148421D+01 -0.167367D+01 -0.689206D+01
               101           102           103           104           105 
      1   0.697339D+01 -0.199971D+01  0.449773D+01 -0.108863D+02  0.345821D+01
      2  -0.144842D+02  0.385698D+01 -0.967193D+01  0.200155D+02 -0.614786D+01
      3   0.751084D+01 -0.185727D+01  0.517420D+01 -0.912914D+01  0.268966D+01
      4   0.153105D+02 -0.607607D+01  0.122056D+02 -0.122798D+02  0.472845D+01
      5  -0.315502D+01  0.361874D+01 -0.141472D+01  0.265193D+01 -0.162168D+01
      6   0.810037D+01 -0.724216D+01  0.593106D+01 -0.911635D+01  0.745344D+01
               106           107           108           109           110 
      1  -0.314950D+01  0.659689D+01 -0.535535D+01 -0.180217D+01  0.176238D+01
      2   0.431664D+01 -0.915685D+01  0.458755D+01  0.240105D+01 -0.261097D+01
      3  -0.116714D+01  0.255996D+01  0.767804D+00 -0.598884D+00  0.848593D+00
      4  -0.769243D+01  0.723877D+01 -0.644629D+01 -0.130489D+01  0.449459D+01
      5   0.356761D+01 -0.305725D+01  0.321633D+01 -0.139284D+01  0.997295D+00
      6  -0.764258D+01  0.111313D+02 -0.926085D+01  0.165417D+01 -0.339256D+01
               111           112           113           114           115 
      1   0.163225D+01  0.601111D+00 -0.405142D+01 -0.253465D+01  0.119821D+01
      2  -0.149603D+01 -0.101018D+01  0.538014D+01  0.348913D+01 -0.106541D+01
      3  -0.136223D+00  0.409068D+00 -0.132872D+01 -0.954471D+00 -0.132795D+00
      4   0.198902D+01  0.377989D+01 -0.178323D+01 -0.221027D+01  0.458040D+01
      5   0.259216D+01  0.310650D+00 -0.113906D+01 -0.106811D+01  0.250388D+01
      6  -0.510681D+01 -0.245812D+01  0.422618D+01  0.675446D+01 -0.539797D+01
               116           117           118           119           120 
      1  -0.741853D+01 -0.914804D+01  0.536936D+02 -0.115924D+02  0.167506D+02
      2   0.827902D+01  0.199492D+01 -0.294718D+02  0.605645D+01 -0.100281D+02
      3  -0.860484D+00  0.715312D+01 -0.242219D+02  0.553595D+01 -0.672248D+01
      4  -0.321096D+01 -0.407101D+01 -0.113924D+02  0.101959D+02 -0.362981D+01
      5  -0.163461D+01 -0.351565D+01  0.196911D+02 -0.435042D+01  0.151944D+02
      6   0.106503D+02  0.229539D+02 -0.224711D+00  0.743929D+00 -0.106840D+00
               121           122           123           124           125 
      1  -0.208038D+02  0.840730D+01 -0.466330D+01  0.237902D+02 -0.330379D+01
      2   0.111054D+02 -0.239441D+01  0.290479D+01 -0.147042D+02  0.218606D+01
      3   0.969848D+01 -0.601290D+01  0.175851D+01 -0.908603D+01  0.111773D+01
      4   0.128805D+02 -0.775482D+01  0.603372D+01 -0.430418D+01  0.715181D+01
      5  -0.648336D+01  0.626253D+01 -0.764509D+01  0.194776D+02 -0.583368D+01
      6   0.153290D+01 -0.143896D+01  0.181970D+01 -0.614461D+00  0.211595D+01
               126           127           128           129           130 
      1   0.122076D+02  0.896718D+01 -0.268957D+01 -0.651606D+01 -0.598439D+01
      2  -0.110090D+02 -0.760445D+01  0.181750D+01  0.546917D+01  0.392307D+01
      3  -0.119861D+01 -0.136273D+01  0.872074D+00  0.104689D+01  0.206132D+01
      4  -0.502610D+01 -0.235188D+01  0.259035D+01  0.151047D+00  0.435209D+01
      5   0.136599D+02 -0.833404D+01  0.515692D+00  0.125181D+02  0.217487D+01
      6  -0.119584D+01  0.120442D-01 -0.192429D+00  0.611347D+00 -0.149033D+01
               131           132           133           134           135 
      1   0.416876D+00  0.574082D-01 -0.121841D+02 -0.105562D+01  0.306575D+01
      2  -0.332381D+00 -0.131908D+01  0.111154D+02 -0.146517D+00 -0.176124D+02
      3  -0.844948D-01  0.126167D+01  0.106871D+01  0.120214D+01  0.145466D+02
      4   0.301307D+00 -0.507260D+01 -0.735737D+00 -0.705011D+01 -0.276538D+01
      5  -0.481203D+01 -0.539168D+01  0.204944D+02 -0.259426D+01 -0.416070D+02
      6   0.128361D+01  0.403338D+01  0.381946D+00  0.437159D+01 -0.187761D+01
               136           137           138           139           140 
      1   0.201774D+01  0.462635D+01  0.267716D+01  0.111333D+02 -0.135197D+01
      2   0.186604D+01  0.721883D-01 -0.120961D+01 -0.290796D+01  0.162181D+02
      3  -0.388377D+01 -0.469854D+01 -0.146755D+01 -0.822532D+01 -0.148662D+02
      4   0.610444D+01  0.104350D+02  0.640844D+00  0.154738D+02  0.407696D+02
      5   0.263222D+01  0.328583D+00  0.252662D+01  0.225230D+00  0.451960D+01
      6   0.360478D+00 -0.724099D-01  0.614087D+00  0.677473D+00  0.213011D+01
               141           142           143           144           145 
      1  -0.104703D+01  0.456690D+01 -0.843340D+00  0.816143D+00  0.135897D+02
      2   0.155700D+01 -0.213160D+01  0.118622D+01 -0.773530D+00  0.104340D+01
      3  -0.509966D+00 -0.243530D+01 -0.342878D+00 -0.426136D-01 -0.146331D+02
      4   0.367174D+01  0.120761D+01  0.415563D+01  0.439951D+01 -0.270098D+02
      5   0.620936D+01  0.528396D+01  0.506411D+01 -0.483587D+00  0.932103D+01
      6   0.461649D+01  0.135497D+01  0.542390D+01  0.146244D+01 -0.952495D+01
               146           147           148           149           150 
      1  -0.297627D+01  0.345679D+01 -0.182917D+01 -0.274954D+01  0.170381D+01
      2  -0.901913D+01 -0.223579D+00 -0.732807D+01  0.147942D+02 -0.515833D+01
      3   0.119954D+02 -0.323321D+01  0.915724D+01 -0.120447D+02  0.345452D+01
      4   0.239773D+02 -0.103159D+02  0.186789D+02 -0.203576D+02  0.752443D+01
      5  -0.576653D+01  0.823897D+01 -0.389794D+01  0.579391D+01 -0.440383D+01
      6   0.700096D+01 -0.861419D+01  0.557028D+01 -0.914194D+01  0.794873D+01
               151           152           153           154           155 
      1   0.424224D+01  0.259102D+01 -0.784097D+00 -0.820112D+01 -0.130807D+02
      2  -0.785118D+00 -0.688207D+01  0.101736D+01  0.998599D+01  0.168241D+02
      3  -0.345713D+01  0.429105D+01 -0.233266D+00 -0.178487D+01 -0.374333D+01
      4  -0.117559D+02  0.108150D+02 -0.100897D+02  0.162899D+02  0.814699D+01
      5   0.871999D+01 -0.675640D+01  0.731174D+01 -0.126736D+01 -0.141560D+01
      6  -0.823336D+01  0.105611D+02 -0.796111D+01 -0.718381D+01 -0.464218D+01
               156           157           158           159           160 
      1   0.433493D+01 -0.913298D+01 -0.110756D+02  0.351666D+01  0.468522D+01
      2  -0.312753D+01  0.118777D+02  0.160371D+02 -0.458237D+01 -0.271912D+01
      3  -0.120740D+01 -0.274476D+01 -0.496149D+01  0.106571D+01 -0.196609D+01
      4  -0.489154D+01  0.843522D+01  0.616589D+01 -0.142339D+01 -0.549435D+01
      5   0.193393D+01 -0.606264D+00 -0.165371D+00 -0.274092D+00  0.265146D+01
      6   0.604822D+01 -0.359372D+01 -0.552901D+01  0.569604D+01  0.494965D+01
               161           162           163           164           165 
      1   0.527456D+01 -0.561530D+01 -0.746694D+00 -0.189193D+01 -0.174292D+01
      2  -0.649386D+01  0.338665D+01  0.131229D+01  0.235703D+00  0.121262D+01
      3   0.121930D+01  0.222864D+01 -0.565596D+00  0.165623D+01  0.530294D+00
      4  -0.670486D+00  0.186856D+01 -0.294957D+01  0.588788D+01  0.272682D+01
      5  -0.674455D+00 -0.167041D+01 -0.248441D+01  0.109853D+01  0.506915D+01
      6   0.736159D+01 -0.361502D+01  0.234163D+01 -0.643385D+00 -0.213586D+01
               166           167           168           169           170 
      1  -0.616226D+00 -0.474003D+01 -0.467120D+01 -0.211899D+01 -0.860974D+01
      2  -0.485502D+00  0.548359D+01  0.539871D+01  0.134959D+01  0.943503D+01
      3   0.110173D+01 -0.743566D+00 -0.727511D+00  0.769403D+00 -0.825291D+00
      4   0.433767D+01 -0.320701D+01 -0.290946D+01  0.475549D+01 -0.645150D+01
      5   0.128020D+00 -0.296404D+01 -0.278492D+01  0.585223D+01 -0.618984D+01
      6  -0.727194D+00  0.703467D+01  0.104719D+02 -0.315469D+01  0.146967D+02
               171 
      1  -0.115064D+02
      2  -0.367558D+00
      3   0.118740D+02
      4  -0.719152D+01
      5  -0.160417D+02
      6   0.289285D+02
 Leave Link  716 at Sun Sep 26 20:02:27 2021, MaxMem=  6442450944 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.865441D+02  0.262350D+01  0.692416D+00
      2   0.262350D+01  0.782051D+02  0.128742D+01
      3   0.692416D+00  0.128742D+01  0.727573D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.151861D+00 -0.471991D+01  0.232964D+01
      2   0.183438D+01 -0.334014D+01  0.216453D+02
      3   0.586983D+01 -0.378875D+02  0.315586D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.775029D+02 -0.182830D+02  0.535975D+01
      2  -0.317254D+02  0.168348D+02  0.380573D+01
      3  -0.457774D+02  0.144818D+01 -0.916548D+01
      4  -0.239822D+02  0.665157D+02 -0.825876D+01
      5  -0.731307D+00 -0.918605D+01  0.266322D+02
      6  -0.315299D+01 -0.196327D+01 -0.130399D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.103462D+01  0.483213D+01 -0.325290D+01  0.430744D+01 -0.634426D+00
      2   0.483213D+01 -0.103128D+01  0.441294D+00 -0.634426D+00 -0.310877D+01
      3  -0.325290D+01  0.441294D+00 -0.979749D+00  0.315727D+00 -0.122865D+01
                 6             7             8             9            10 
      1   0.315727D+00 -0.362561D+01  0.463307D+00 -0.115795D+01  0.289276D+00
      2  -0.122865D+01  0.463307D+00 -0.179215D+01  0.283178D+01 -0.429823D+01
      3   0.215005D+01 -0.115795D+01  0.283178D+01  0.510858D+01  0.208143D+01
                11            12            13            14            15 
      1  -0.429823D+01  0.208143D+01 -0.572121D+01  0.100001D+01 -0.233692D+00
      2   0.146681D+01 -0.652429D-01  0.100001D+01  0.449172D+01  0.863744D+00
      3  -0.652429D-01  0.140811D+01 -0.233692D+00  0.863744D+00 -0.151380D+01
                16            17            18            19            20 
      1   0.379641D+01 -0.142265D+00  0.192357D+01 -0.108108D+01  0.432062D+01
      2  -0.142265D+00  0.145968D+01 -0.192181D+01  0.432062D+01 -0.674585D-01
      3   0.192357D+01 -0.192181D+01 -0.789548D+01 -0.236687D+01 -0.126667D+00
                21            22            23            24            25 
      1  -0.236687D+01  0.350706D+01 -0.144020D+01 -0.269916D+00 -0.279886D+01
      2  -0.126667D+00 -0.144020D+01 -0.380705D+01 -0.130293D+01  0.163713D+00
      3  -0.941679D+00 -0.269916D+00 -0.130293D+01  0.115346D+01 -0.148978D+01
                26            27            28            29            30 
      1   0.163713D+00 -0.148978D+01  0.736612D+00 -0.996896D-01  0.331901D+01
      2  -0.175243D+01  0.956885D+00 -0.996896D-01  0.215354D+01  0.126278D+01
      3   0.956885D+00  0.643959D+01  0.331901D+01  0.126278D+01  0.237803D+01
                31            32            33            34            35 
      1   0.955791D+00  0.829272D+00  0.143998D+01  0.426684D+01  0.152149D+01
      2   0.829272D+00  0.360671D+00  0.143917D+01  0.152149D+01  0.207307D+01
      3   0.143998D+01  0.143917D+01  0.107712D+01  0.197902D+01  0.567960D+00
                36            37            38            39            40 
      1   0.197902D+01  0.504400D+01  0.168998D+01 -0.749698D+00  0.251801D+01
      2   0.567960D+00  0.168998D+01  0.519059D+00 -0.897196D+00  0.407527D+00
      3   0.386004D+00 -0.749698D+00 -0.897196D+00  0.975051D+00 -0.115796D+01
                41            42            43            44            45 
      1   0.407527D+00 -0.115796D+01  0.628243D+00 -0.367521D+00 -0.807492D+00
      2   0.102951D+01  0.958986D+00 -0.367521D+00  0.174231D+01  0.186197D+00
      3   0.958986D+00  0.759820D+00 -0.807492D+00  0.186197D+00  0.477078D+01
                46            47            48            49            50 
      1   0.230080D+00  0.374992D+01 -0.271702D+01  0.451252D+01 -0.123357D+01
      2   0.374992D+01 -0.522953D+00  0.457082D+00 -0.123357D+01 -0.556799D+01
      3  -0.271702D+01  0.457082D+00 -0.227481D+01  0.616820D+00 -0.142241D+01
                51            52            53            54            55 
      1   0.616820D+00 -0.414608D+01  0.349017D+00 -0.320485D+01  0.264731D+01
      2  -0.142241D+01  0.349017D+00 -0.145164D+01  0.157539D+01 -0.245607D+01
      3   0.176542D+01 -0.320485D+01  0.157539D+01  0.535723D+01  0.125700D+01
                56            57            58            59            60 
      1  -0.245607D+01  0.125700D+01 -0.847758D+00  0.246527D+01 -0.412507D+00
      2   0.245877D+01 -0.603578D+00  0.246527D+01  0.456670D+01  0.112561D+01
      3  -0.603578D+00  0.249412D+01 -0.412507D+00  0.112561D+01 -0.101173D+01
                61            62            63            64            65 
      1   0.177016D+01 -0.750928D+00  0.271862D+01 -0.730598D+01 -0.251232D+01
      2  -0.750928D+00  0.107800D+01 -0.910423D+00 -0.251232D+01 -0.276715D+01
      3   0.271862D+01 -0.910423D+00 -0.322948D+01 -0.406014D+01 -0.104316D+01
                66            67            68            69            70 
      1  -0.406014D+01 -0.307304D+01 -0.221264D+01 -0.111316D+01 -0.523821D+01
      2  -0.104316D+01 -0.221264D+01 -0.305800D+01 -0.269449D+01 -0.152530D+01
      3  -0.338193D+01 -0.111316D+01 -0.269449D+01 -0.188301D+01 -0.375433D+01
                71            72            73            74            75 
      1  -0.152530D+01 -0.375433D+01  0.551092D+00 -0.578676D+00 -0.927764D+00
      2  -0.342300D+01 -0.194447D+01 -0.578676D+00  0.375203D+00  0.218104D-01
      3  -0.194447D+01 -0.688316D+01 -0.927764D+00  0.218104D-01  0.884231D+00
                76            77            78            79            80 
      1  -0.711113D+00  0.234489D+00  0.411938D-01 -0.137485D+01  0.147780D+00
      2   0.234489D+00  0.385367D+00 -0.102834D+01  0.147780D+00 -0.141140D+01
      3   0.411938D-01 -0.102834D+01 -0.313510D+00  0.486306D+00  0.382798D-01
                81            82            83            84            85 
      1   0.486306D+00 -0.753292D+00  0.903734D+00  0.104430D+01  0.998907D+00
      2   0.382798D-01  0.903734D+00 -0.369998D+00 -0.278495D-01 -0.263715D+00
      3  -0.719528D+01  0.104430D+01 -0.278495D-01 -0.493940D+00 -0.286599D-01
                86            87            88            89            90 
      1  -0.263715D+00 -0.286599D-01  0.137686D+01 -0.831242D-01 -0.409948D+00
      2  -0.130702D+00  0.119594D+01 -0.831242D-01  0.161690D+01  0.868500D+00
      3   0.119594D+01  0.928511D+00 -0.409948D+00  0.868500D+00  0.827776D+01
                91            92            93            94            95 
      1  -0.698774D+01 -0.170720D+01  0.274690D+01 -0.248736D+01 -0.140189D+01
      2  -0.170720D+01 -0.134629D+01  0.704430D+00 -0.140189D+01 -0.944816D+00
      3   0.274690D+01  0.704430D+00 -0.225984D+01  0.108295D+01  0.805105D+00
                96            97            98            99           100 
      1   0.108295D+01  0.942861D+00  0.204168D+00 -0.989793D+00 -0.231578D+01
      2   0.805105D+00  0.204168D+00  0.405702D+00 -0.308959D+00  0.268063D+01
      3  -0.979617D+00 -0.989793D+00 -0.308959D+00  0.143733D+01 -0.117121D+01
               101           102           103           104           105 
      1   0.268063D+01 -0.117121D+01  0.218400D+01 -0.230108D+01  0.862200D+00
      2  -0.346657D+01  0.117697D+01 -0.230108D+01  0.440687D+01 -0.133859D+01
      3   0.117697D+01 -0.122689D+01  0.862200D+00 -0.133859D+01  0.116825D+01
               106           107           108           109           110 
      1  -0.190477D+01  0.149280D+01 -0.137024D+01 -0.283743D+00  0.834812D+00
      2   0.149280D+01 -0.276553D+01  0.174267D+01  0.834812D+00 -0.648537D+00
      3  -0.137024D+01  0.174267D+01 -0.173931D+01  0.460375D+00 -0.553791D+00
               111           112           113           114           115 
      1   0.460375D+00  0.615671D+00 -0.262841D+00 -0.411423D+00  0.130898D+01
      2  -0.553791D+00 -0.262841D+00  0.122298D+01  0.859475D+00 -0.587939D+00
      3  -0.971382D+00 -0.411423D+00  0.859475D+00  0.961889D+00 -0.115088D+01
               116           117           118           119           120 
      1  -0.587939D+00 -0.115088D+01  0.728494D+01 -0.175905D+01  0.250046D+01
      2   0.245750D+01  0.199975D+01 -0.175905D+01  0.128851D+01 -0.550598D+00
      3   0.199975D+01  0.517859D+01  0.250046D+01 -0.550598D+00  0.185878D+01
               121           122           123           124           125 
      1  -0.340561D+01  0.172629D+01 -0.803258D+00  0.399429D+01 -0.618277D+00
      2   0.172629D+01 -0.917388D+00  0.935888D+00 -0.618277D+00  0.113419D+01
      3  -0.803258D+00  0.935888D+00 -0.104812D+01  0.250110D+01 -0.837663D+00
               126           127           128           129           130 
      1   0.250110D+01  0.144088D+01 -0.419469D+00 -0.116862D+01 -0.108593D+01
      2  -0.837663D+00 -0.419469D+00  0.263124D+00  0.441474D-01  0.590281D+00
      3   0.173819D+01 -0.116862D+01  0.441474D-01  0.123532D+01  0.275673D+00
               131           132           133           134           135 
      1   0.590281D+00  0.275673D+00 -0.256785D+01 -0.881163D-01  0.270330D+01
      2   0.127985D+00 -0.890802D+00 -0.881163D-01 -0.126061D+01 -0.375709D+00
      3  -0.890802D+00 -0.967137D+00  0.270330D+01 -0.375709D+00 -0.713077D+01
               136           137           138           139           140 
      1   0.283048D+00  0.119511D+01  0.435202D+00  0.235579D+01  0.186744D+01
      2   0.119511D+01  0.102913D+01  0.604285D-01  0.186744D+01  0.800516D+01
      3   0.435202D+00  0.604285D-01  0.302503D+00  0.424887D-01  0.664407D+00
               141           142           143           144           145 
      1   0.424887D-01  0.823841D+00  0.150718D+00  0.739833D+00  0.456394D+01
      2   0.664407D+00  0.150718D+00  0.882771D+00  0.918856D+00 -0.320647D+01
      3   0.997644D+00  0.739833D+00  0.918856D+00 -0.695948D-01  0.184933D+01
               146           147           148           149           150 
      1  -0.320647D+01  0.184933D+01 -0.234069D+01  0.242904D+01 -0.822580D+00
      2   0.344710D+01 -0.109340D+01  0.242904D+01 -0.349105D+01  0.141329D+01
      3  -0.109340D+01  0.157168D+01 -0.822580D+00  0.141329D+01 -0.115617D+01
               151           152           153           154           155 
      1   0.220607D+01 -0.121826D+01  0.158009D+01 -0.562305D+01 -0.220116D+01
      2  -0.121826D+01  0.225292D+01 -0.173310D+01 -0.220116D+01 -0.315815D+01
      3   0.158009D+01 -0.173310D+01  0.142626D+01  0.137512D+01  0.662756D+00
               156           157           158           159           160 
      1   0.137512D+01 -0.165398D+01 -0.204629D+01  0.514713D+00  0.167379D+01
      2   0.662756D+00 -0.204629D+01 -0.244533D+01  0.889475D+00  0.614515D+00
      3  -0.109301D+01  0.514713D+00  0.889475D+00 -0.837625D+00 -0.957390D+00
               161           162           163           164           165 
      1   0.614515D+00 -0.957390D+00  0.244882D+00 -0.968604D+00 -0.654901D+00
      2   0.145481D+01 -0.119037D+01 -0.968604D+00  0.377133D+00  0.129777D+00
      3  -0.119037D+01  0.615000D+00 -0.654901D+00  0.129777D+00  0.515405D+00
               166           167           168           169           170 
      1  -0.628485D+00  0.247029D+00  0.614157D-01 -0.113212D+01  0.274221D+00
      2   0.247029D+00 -0.112588D+01 -0.124489D+01  0.274221D+00 -0.270112D+01
      3   0.614157D-01 -0.124489D+01 -0.125144D+01  0.660790D+00 -0.246378D+01
               171 
      1   0.660790D+00
      2  -0.246378D+01
      3  -0.659225D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.678377D+01  0.810652D+00 -0.175841D+01  0.396986D+00 -0.514120D+01
      2  -0.390927D+01  0.104461D+01  0.845765D+00  0.388242D+00 -0.110568D+01
      3  -0.900130D+01 -0.141163D+02  0.664264D+01 -0.741950D+01  0.538959D+01
                 6             7             8             9            10 
      1   0.265134D+01 -0.258381D+01  0.988550D+01  0.108222D+02 -0.331916D+00
      2   0.246345D+01 -0.326732D+01  0.339167D+01  0.610628D+01  0.327706D+01
      3   0.835130D+00  0.743479D+01  0.675975D+00 -0.135124D+01  0.724638D+01
                11            12            13            14            15 
      1  -0.117763D+00  0.395532D+00 -0.110609D+01  0.238354D+01 -0.317488D+01
      2  -0.295696D-01  0.485452D+01 -0.779722D+00  0.820253D+00 -0.224041D+01
      3  -0.368548D+01  0.201583D+00  0.294494D+01 -0.604736D+01 -0.132650D+01
                16            17            18            19            20 
      1   0.726971D+00  0.368517D+01 -0.264596D+01 -0.130102D+01 -0.187364D+01
      2  -0.221722D+01 -0.255719D+01 -0.104760D+02  0.309420D+01 -0.244951D+00
      3   0.176029D+01 -0.209663D+01  0.244090D+01 -0.156082D+01 -0.386615D+01
                21            22            23            24            25 
      1  -0.183617D+00 -0.127869D+01  0.267349D+01 -0.764090D-01  0.603932D+00
      2   0.737387D+00  0.203109D+01 -0.585297D+00  0.283010D+00 -0.641244D+01
      3  -0.436654D+00  0.137940D+01 -0.459045D+01  0.201764D+01 -0.327216D+01
                26            27            28            29            30 
      1   0.504217D+01 -0.307204D+01 -0.215701D+01 -0.335903D+01  0.342440D+01
      2   0.359269D+00 -0.958093D+00 -0.350148D+01 -0.145206D+00 -0.553249D+00
      3   0.209879D+01 -0.117752D+01 -0.855775D+01  0.564162D+01  0.861004D+00
                31            32            33            34            35 
      1   0.212534D+01 -0.134797D+01 -0.886891D+01  0.158303D+01 -0.546182D+01
      2   0.337297D+01 -0.169745D+01 -0.595100D+01 -0.448516D+00 -0.301377D+01
      3   0.185464D+02  0.119667D+02 -0.650989D+00 -0.679680D+00 -0.219006D+01
                36            37            38            39            40 
      1   0.370684D+01  0.203335D+01 -0.304600D+00 -0.369676D+00  0.298909D+00
      2  -0.271390D+01 -0.388742D+01 -0.103730D+00  0.112466D+01 -0.979077D+00
      3   0.945400D+00  0.336959D+01 -0.775182D+00 -0.161985D+01  0.694617D+00
                41            42            43            44            45 
      1   0.656098D+00 -0.499444D+00  0.567165D-01  0.535003D+01  0.469304D+00
      2  -0.327904D+01 -0.423277D+00 -0.650071D+01 -0.156265D+01 -0.853340D+01
      3   0.460944D+00  0.310455D+01  0.295883D+00  0.275033D+01  0.785275D+00
                46            47            48            49            50 
      1   0.117706D+01  0.449852D+00  0.726202D+00  0.136622D+01  0.192877D+01
      2  -0.938856D+01  0.126750D+01 -0.526414D+01  0.217891D+01 -0.423478D+01
      3  -0.990181D+01  0.134547D+01 -0.231832D+01  0.103630D+02  0.177091D+02
                51            52            53            54            55 
      1  -0.265502D+01  0.144252D+01  0.145273D+01 -0.267432D+01 -0.156374D+01
      2   0.475904D+01 -0.135298D+02  0.397374D+01  0.149437D+02  0.103300D+01
      3   0.369438D+01 -0.354383D+01  0.439072D+01 -0.616262D+01  0.664449D+01
                56            57            58            59            60 
      1   0.299754D+01 -0.718239D+01  0.226383D+01 -0.411060D+01 -0.243419D+01
      2   0.154735D+01  0.428778D+01 -0.340504D-01  0.488570D+00  0.980070D+00
      3  -0.117360D+02  0.183877D+01  0.241918D+01  0.549138D+01 -0.236863D+01
                61            62            63            64            65 
      1  -0.695953D+01  0.774780D+01  0.794849D+01  0.214659D+01  0.616263D+01
      2  -0.192000D+01  0.421219D+00 -0.980115D+00 -0.220035D+00  0.373251D-01
      3   0.347455D+01 -0.201872D+01  0.661416D+01  0.244412D+01 -0.755946D+01
                66            67            68            69            70 
      1  -0.266413D+01 -0.590333D+00  0.249239D+01 -0.135261D+01  0.366644D+00
      2   0.884006D+01 -0.373220D+01  0.392551D+01  0.518010D+01 -0.228865D+01
      3  -0.679516D+00 -0.303285D+01 -0.807444D+01 -0.246584D+01 -0.104298D-01
                71            72            73            74            75 
      1   0.808779D+01 -0.213687D+01  0.103130D+01 -0.339353D+00 -0.317314D+00
      2   0.325412D+01  0.115214D+02  0.609494D+00 -0.495373D+00  0.574575D+00
      3  -0.178918D+01 -0.227956D+01  0.593332D+00 -0.769934D+00 -0.567292D+00
                76            77            78            79            80 
      1  -0.350292D-01  0.414881D+00 -0.186716D+00 -0.595401D+00  0.332542D+01
      2  -0.722168D+00  0.291735D+00 -0.696002D-01 -0.365763D+01  0.249945D+00
      3   0.984175D+00  0.242987D-01 -0.105658D+00 -0.452646D+00  0.107583D+00
                81            82            83            84            85 
      1   0.361294D+01  0.100260D+01 -0.567946D+00 -0.200332D+00 -0.209433D+00
      2   0.780684D+00  0.260175D+01 -0.598223D+00 -0.555761D+00 -0.105215D+01
      3   0.930155D-02 -0.900819D+00 -0.744970D+00 -0.310625D+00  0.127555D+01
                86            87            88            89            90 
      1   0.624497D+00 -0.273696D+00 -0.594833D+00  0.393899D+01  0.238941D+01
      2   0.189824D+01  0.117222D+01 -0.457384D+01  0.147443D+01  0.104610D+02
      3   0.149477D+00 -0.129868D+01 -0.165921D+00 -0.158991D+01 -0.665019D+00
                91            92            93            94            95 
      1  -0.144453D+01 -0.178061D+01  0.154542D-01 -0.127377D+01 -0.137635D+01
      2   0.275023D+01  0.430942D+00  0.270961D+01  0.919186D+00 -0.154917D+00
      3  -0.182593D+01 -0.381405D+01  0.114721D+01 -0.145226D+01 -0.257760D+01
                96            97            98            99           100 
      1  -0.841540D-01  0.580384D+00  0.750881D+00 -0.336239D+00  0.254967D+01
      2   0.120490D+01 -0.465926D+00  0.682348D-01 -0.797616D+00 -0.137871D+01
      3   0.819304D+00  0.560516D+00  0.794049D+00 -0.456938D+00 -0.644740D+01
               101           102           103           104           105 
      1  -0.245562D+01  0.396674D+01 -0.231445D+01  0.224233D+01 -0.335264D+01
      2  -0.418206D-01  0.732941D+00  0.188502D+00 -0.253581D-01 -0.595243D+00
      3   0.464991D+01 -0.292959D+01  0.682075D+01 -0.466577D+01  0.238627D+01
               106           107           108           109           110 
      1   0.333378D+01 -0.234658D+01  0.362394D+01 -0.126554D+01  0.108512D+01
      2  -0.111327D+01 -0.188730D+00  0.372693D+00  0.685256D+00  0.791666D-01
      3  -0.540226D+01  0.322633D+01 -0.356729D+01 -0.797933D+00  0.839345D+00
               111           112           113           114           115 
      1   0.338162D+01  0.943281D+00 -0.237939D+01 -0.255044D+01  0.328868D+01
      2  -0.103702D+00  0.218810D+00 -0.845405D-01 -0.145265D+00 -0.239524D+01
      3   0.889052D+00  0.175508D+01 -0.879156D+00 -0.104257D+01  0.343982D+01
               116           117           118           119           120 
      1  -0.302695D+01 -0.131799D+02 -0.641291D+00  0.689715D+00 -0.282530D-01
      2   0.948990D-01  0.475712D+00  0.663205D+01 -0.190090D+01  0.753575D+01
      3  -0.133135D+01 -0.342570D+01  0.707146D+01 -0.664698D+01  0.287096D+01
               121           122           123           124           125 
      1   0.610070D-02 -0.743831D+00 -0.520095D+00 -0.408955D+00  0.163395D+01
      2  -0.202042D+01  0.261485D+01 -0.402995D+01  0.560475D+01 -0.266672D+01
      3  -0.475431D+01  0.410028D+01 -0.285728D+01  0.299020D+01 -0.454726D+01
               126           127           128           129           130 
      1  -0.963523D-01  0.576763D+00 -0.382489D+00 -0.754894D+00 -0.762912D-01
      2   0.555261D+01 -0.285696D+01  0.817159D-01  0.455984D+01  0.196598D+00
      3   0.341237D+01  0.165229D+01 -0.184308D+01 -0.678607D+00 -0.998241D+00
               131           132           133           134           135 
      1   0.659286D+00 -0.226581D+00 -0.930147D+00  0.322652D+01  0.304288D+01
      2  -0.225563D+01 -0.269329D+01  0.395208D+01 -0.136515D+01 -0.206104D+02
      3  -0.859772D-01  0.218110D+01 -0.463248D+00  0.414300D+01  0.259236D+01
               136           137           138           139           140 
      1  -0.235080D+00 -0.285136D+00 -0.543198D+00 -0.134661D+00 -0.803307D+00
      2   0.135604D+01  0.424833D-01  0.122340D+01 -0.131454D+00  0.211910D+01
      3  -0.347793D+01 -0.215931D+01  0.489794D-01  0.762458D-01 -0.233560D+02
               141           142           143           144           145 
      1  -0.270550D+01 -0.655533D+00  0.422439D+00  0.649735D-01  0.357822D+01
      2   0.339756D+01  0.503820D+00  0.239296D+01 -0.315921D+00  0.110523D+01
      3  -0.199119D+01  0.376612D+00 -0.250708D+01 -0.167582D+01 -0.650171D+01
               146           147           148           149           150 
      1  -0.124845D+01  0.432654D+01 -0.162152D+01  0.220651D+01 -0.351453D+01
      2  -0.104873D+01  0.334107D+01 -0.371100D+00  0.142865D+01 -0.202898D+01
      3   0.116269D+00 -0.268448D+01  0.419923D+01 -0.323447D+00  0.289452D+00
               151           152           153           154           155 
      1   0.311528D+01 -0.170495D+01  0.290671D+01  0.286219D+01  0.451919D+00
      2   0.307158D+00 -0.194369D+01  0.192812D+01  0.301993D+01  0.633281D+00
      3  -0.415577D+01 -0.847654D+00 -0.104940D+01  0.176045D+02  0.541076D+01
               156           157           158           159           160 
      1  -0.327851D+01  0.684848D+00  0.121199D+01 -0.260447D+01 -0.230693D+01
      2   0.379355D+00  0.629183D+00  0.114783D+01 -0.128137D-01 -0.266550D+01
      3  -0.385678D+01  0.739000D+01  0.599909D+01 -0.207478D+01 -0.482860D+01
               161           162           163           164           165 
      1  -0.962870D+00  0.115269D+01 -0.123385D+01  0.672124D-01  0.104423D+01
      2  -0.111058D+01  0.459494D+00 -0.677600D+00  0.922550D-01  0.112140D+01
      3  -0.217951D+01  0.321272D+01  0.103162D+01  0.604556D+00  0.937039D+00
               166           167           168           169           170 
      1   0.210574D+00 -0.223925D+01 -0.396233D+01  0.125282D+01 -0.193721D+01
      2  -0.301154D+00 -0.131204D+01 -0.125053D+01 -0.218545D+01 -0.258906D+01
      3   0.208227D+01  0.626519D+00  0.119842D+01  0.264186D+01  0.291058D+01
               171 
      1  -0.149542D+02
      2  -0.756047D+01
      3   0.179862D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.954862D+01  0.107910D+02 -0.755589D+01  0.896379D+01 -0.109369D+02
      2  -0.169566D+02 -0.374113D+01  0.299202D+01 -0.306986D+01  0.144276D+02
      3   0.740797D+01 -0.704988D+01  0.456387D+01 -0.589393D+01 -0.349064D+01
      4   0.757768D+01 -0.206869D+02  0.131775D+02 -0.177103D+02 -0.308971D+01
      5  -0.706797D+01  0.598855D+01 -0.495384D+01  0.408176D+01 -0.360449D+01
      6   0.159325D+02 -0.188039D+01  0.408450D+01 -0.168744D+01  0.758189D+01
                 6             7             8             9            10 
      1  -0.847932D+00 -0.835307D+01  0.172566D+00  0.487161D+01 -0.115632D+02
      2   0.522054D+01  0.238718D+01  0.640150D+01 -0.499513D+01  0.869598D+01
      3  -0.437261D+01  0.596590D+01 -0.657407D+01  0.123526D+00  0.286720D+01
      4  -0.406655D+01  0.128525D+02 -0.591939D+01  0.968985D+01 -0.122911D+02
      5   0.552084D+01 -0.583857D+01  0.745084D+01  0.118824D+02  0.553086D+01
      6  -0.898988D+01  0.498946D+01 -0.130808D+02 -0.191122D+02 -0.235098D+01
                11            12            13            14            15 
      1  -0.132111D+02  0.408024D+01 -0.158292D+02  0.974552D+01  0.180528D+01
      2   0.676156D+01 -0.437387D+01  0.932569D+01 -0.110758D+02  0.145946D+00
      3   0.644951D+01  0.293625D+00  0.650347D+01  0.133031D+01 -0.195123D+01
      4   0.458161D+01 -0.112018D+01  0.498922D+01  0.907778D+01  0.211927D+01
      5  -0.948921D-01  0.311281D+01 -0.759377D-01  0.199042D+01 -0.436667D+01
      6   0.436985D+00 -0.106215D+01  0.913045D+00 -0.204540D+01  0.592226D+00
                16            17            18            19            20 
      1   0.884826D+01  0.243181D+01  0.984687D+01 -0.119908D+02 -0.288005D+01
      2  -0.482089D+01  0.825741D-02  0.640258D+01  0.122226D+02  0.586623D+01
      3  -0.402737D+01 -0.244007D+01 -0.162494D+02 -0.231809D+00 -0.298617D+01
      4  -0.160067D+01  0.259631D+01 -0.442784D+01  0.266282D+01  0.166119D+01
      5   0.695442D+01 -0.385619D+01 -0.181697D+02  0.521935D+01  0.725361D+00
      6  -0.560376D+00  0.396941D+01  0.398338D+00  0.103984D+01 -0.347833D+00
                21            22            23            24            25 
      1   0.147530D+01  0.579262D+01  0.929432D+01  0.469911D+01 -0.369650D+01
      2  -0.264945D+01 -0.499415D+01 -0.172872D+02 -0.237588D+01 -0.277014D+00
      3   0.117416D+01 -0.798465D+00  0.799289D+01 -0.232324D+01  0.397351D+01
      4   0.201224D+01 -0.863077D+01  0.111361D+00  0.110203D+01  0.854508D+00
      5   0.154233D-01  0.259144D+01  0.366518D+01  0.336143D+00  0.345297D+00
      6   0.360922D+00  0.129499D+01 -0.478103D+00 -0.214210D+01 -0.282387D+00
                26            27            28            29            30 
      1   0.353156D+01  0.610637D+01 -0.952954D+01  0.472744D-01 -0.675902D+01
      2  -0.429454D+01  0.817333D+01  0.958802D+01 -0.240482D+00  0.582050D+01
      3   0.762980D+00 -0.142797D+02 -0.584737D-01  0.193208D+00  0.938524D+00
      4  -0.245436D+01  0.217462D+00 -0.530752D+01 -0.539642D+01 -0.592660D+01
      5   0.824293D+00  0.222446D+01 -0.166578D+02 -0.673117D+01 -0.182888D+02
      6   0.162944D+01  0.599360D+01 -0.445029D+01 -0.333387D+01 -0.548463D+01
                31            32            33            34            35 
      1  -0.407422D+01 -0.313663D+01 -0.362210D+01 -0.181225D+02 -0.667333D+01
      2   0.697083D+00  0.503095D+01  0.479392D+01  0.803513D+01 -0.709677D+00
      3   0.337713D+01 -0.189431D+01 -0.117182D+01  0.100874D+02  0.738300D+01
      4   0.301049D+01 -0.970643D+01 -0.262829D+01 -0.113260D+02 -0.522808D+01
      5  -0.100587D+02 -0.579521D+01 -0.104819D+02 -0.191074D+02 -0.316708D+01
      6  -0.128948D+01 -0.516362D+01  0.238710D+00 -0.567775D+00 -0.853538D+01
                36            37            38            39            40 
      1  -0.335200D+01 -0.152744D+02 -0.697993D+01  0.330063D+01 -0.110781D+02
      2   0.695381D+01  0.670945D+01  0.286798D+01 -0.689920D+00  0.671808D+01
      3  -0.360181D+01  0.856498D+01  0.411195D+01 -0.261071D+01  0.436000D+01
      4  -0.326508D+01 -0.108014D+02  0.486862D+00  0.498446D+01  0.153702D+00
      5  -0.578570D+01  0.924926D+01  0.708412D+01  0.187000D+01  0.849195D+01
      6  -0.257716D+01  0.516448D+01  0.609053D+00 -0.182099D+01  0.176667D+01
                41            42            43            44            45 
      1  -0.576319D+01  0.479213D+01  0.941161D+00  0.892109D+00 -0.112778D+02
      2   0.490106D+01 -0.400422D+01  0.391530D+01  0.235953D+01 -0.109996D+02
      3   0.862130D+00 -0.787908D+00 -0.485646D+01 -0.325164D+01  0.222773D+02
      4  -0.367115D+01 -0.424151D+01  0.407238D+01 -0.369815D+01 -0.306349D+01
      5  -0.289424D+01 -0.387827D+01  0.110717D+02 -0.237402D+01 -0.200816D+02
      6   0.138968D+01  0.602818D+01 -0.225537D+01  0.862782D+01 -0.159380D+01
                46            47            48            49            50 
      1  -0.113772D+01  0.217868D+02 -0.176631D+02  0.256754D+02 -0.306600D+01
      2   0.158800D+01 -0.131859D+02  0.844508D+01 -0.166920D+02 -0.498061D+01
      3  -0.450282D+00 -0.860095D+01  0.921804D+01 -0.898339D+01  0.804661D+01
      4   0.216856D+02 -0.290947D+01  0.233910D+01 -0.654297D+01 -0.255269D+02
      5  -0.194092D+02  0.314215D+01 -0.137278D+02  0.403604D+01 -0.907159D+01
      6  -0.356758D-01 -0.318189D+00  0.274382D+00 -0.144579D+01 -0.228870D+01
                51            52            53            54            55 
      1   0.568284D+01 -0.230788D+02  0.344677D+01 -0.123402D+02  0.157913D+02
      2  -0.308379D+01  0.945052D+01 -0.178229D+01  0.144617D+02 -0.145996D+02
      3  -0.259905D+01  0.136283D+02 -0.166448D+01 -0.212158D+01 -0.119172D+01
      4  -0.722489D+01  0.309456D+01 -0.616790D+01  0.820552D+01  0.785185D+01
      5   0.103185D+02 -0.200905D+02  0.895828D+01  0.279498D+02 -0.215949D+01
      6   0.997225D+00  0.725170D-01 -0.553251D+00  0.157068D+01  0.527849D+01
                56            57            58            59            60 
      1  -0.473222D+01  0.332670D+00 -0.675347D+01 -0.179752D+02 -0.374133D+01
      2   0.930278D+01 -0.236267D+01  0.122977D+02  0.303968D+02  0.486771D+01
      3  -0.457057D+01  0.203000D+01 -0.554421D+01 -0.124216D+02 -0.112639D+01
      4  -0.504822D+01  0.386727D+01  0.206025D+01  0.114657D+02 -0.361128D+01
      5   0.201327D+01  0.118947D+01  0.178220D+00 -0.338132D+01  0.158276D+01
      6  -0.430671D+01  0.114714D+02 -0.459489D+01  0.544051D+01  0.109141D+01
                61            62            63            64            65 
      1   0.173103D+01 -0.839685D+00  0.196837D+01  0.390510D+02  0.811553D+01
      2  -0.246632D+01  0.512186D+01 -0.249465D+01 -0.250884D+02 -0.375220D+01
      3   0.735288D+00 -0.428217D+01  0.526281D+00 -0.139626D+02 -0.436333D+01
      4   0.429176D+01 -0.351777D+01  0.973934D+01  0.129485D+02  0.157204D+02
      5   0.203675D+01  0.329746D+01  0.354742D+00  0.273885D+02  0.642545D+01
      6   0.130817D+02 -0.186041D+01 -0.127057D+02  0.489827D+01  0.632980D+01
                66            67            68            69            70 
      1   0.128172D+02  0.567930D+01  0.887527D-01 -0.493274D+00  0.167722D+02
      2  -0.114766D+02 -0.860049D+00  0.635798D+01  0.269983D+00 -0.158237D+02
      3  -0.134064D+01 -0.481925D+01 -0.644673D+01  0.223290D+00 -0.948542D+00
      4   0.640873D+01  0.170346D+02  0.170468D+02  0.109799D+02  0.824890D+01
      5   0.275516D+02  0.825779D+01  0.125060D+02  0.111746D+02  0.280335D+02
      6   0.495015D+01  0.485312D+01  0.885702D+01  0.113313D+02  0.499823D+01
                71            72            73            74            75 
      1   0.219167D+01  0.141974D+01  0.936305D+00 -0.109469D+00  0.172548D+00
      2  -0.263469D+01 -0.144299D+02 -0.424414D+01  0.706907D-01  0.132106D+01
      3   0.443020D+00  0.130102D+02  0.330783D+01  0.387781D-01 -0.149361D+01
      4   0.106242D+02  0.748206D+01  0.546909D+00  0.132830D+01 -0.115247D+01
      5   0.922262D+01  0.344792D+02 -0.218103D+01 -0.259254D+00  0.588533D+01
      6   0.122399D+02  0.869080D+01 -0.123340D+01 -0.669366D+00  0.731401D+00
                76            77            78            79            80 
      1   0.122441D+00 -0.395409D+01 -0.149807D+00  0.575155D+00  0.151589D+01
      2   0.228310D+00  0.106416D+01 -0.153444D+01  0.184679D+01 -0.216708D+01
      3  -0.350751D+00  0.288993D+01  0.168425D+01 -0.242195D+01  0.651192D+00
      4   0.170670D+01 -0.121677D+00 -0.494732D+00 -0.627489D+00 -0.939962D-01
      5   0.806105D-02 -0.963826D+00 -0.527155D+00  0.434312D+01  0.273913D+00
      6  -0.485315D+00 -0.469299D+00  0.548908D+01  0.258806D+00  0.406676D+01
                81            82            83            84            85 
      1  -0.152022D+02  0.128703D+01  0.228139D+01  0.284356D+01  0.280823D+01
      2  -0.138615D+02 -0.433268D+01 -0.824925D+00 -0.493144D-02 -0.149065D+01
      3   0.290637D+02  0.304565D+01 -0.145646D+01 -0.283863D+01 -0.131758D+01
      4   0.867744D+00  0.216013D+01  0.643240D+00  0.705418D-01  0.100557D+01
      5  -0.304746D+01  0.969496D+00  0.255876D+00  0.474041D+01  0.827186D-01
      6  -0.721387D+01  0.967332D-01 -0.354202D+00 -0.325741D+00 -0.248919D+00
                86            87            88            89            90 
      1  -0.467515D+01 -0.135073D+01  0.423682D+01 -0.763739D+00 -0.167405D+02
      2   0.121934D+01 -0.129224D+01 -0.139332D+01 -0.235314D+01 -0.150608D+02
      3   0.345581D+01  0.264297D+01 -0.284349D+01  0.311688D+01  0.318013D+02
      4  -0.438408D+00  0.233101D+01  0.459839D+00  0.290250D+01  0.234862D+01
      5   0.250663D+01  0.185949D+01  0.297071D+01  0.180396D+01  0.174038D+02
      6   0.170271D+01  0.639332D+01  0.369839D-01  0.390498D+01  0.759825D-01
                91            92            93            94            95 
      1   0.329675D+02  0.725752D+01 -0.107140D+02  0.907861D+01  0.427251D+01
      2  -0.190231D+02 -0.376522D+01  0.806323D+01 -0.416463D+01 -0.982544D+00
      3  -0.139444D+02 -0.349230D+01  0.265072D+01 -0.491397D+01 -0.328997D+01
      4   0.974675D+01  0.678601D+01 -0.396756D+01  0.932394D+01  0.562175D+01
      5  -0.217869D+02 -0.551457D+01  0.136706D+02 -0.802983D+01 -0.510497D+01
      6  -0.488278D+01 -0.306756D+01  0.275296D+01 -0.382591D+01 -0.268759D+01
                96            97            98            99           100 
      1  -0.345237D+01 -0.134552D+01  0.464364D-02  0.251446D+01 -0.221220D+01
      2   0.256704D+01  0.330855D+01  0.784974D+00 -0.387868D+01  0.821179D+01
      3   0.885327D+00 -0.196303D+01 -0.789618D+00  0.136422D+01 -0.599959D+01
      4  -0.391514D+01 -0.881156D+00 -0.102154D+01  0.152771D+01 -0.115426D+02
      5   0.544175D+01  0.727386D+01  0.186581D+01 -0.738718D+01  0.343158D+01
      6   0.293367D+01  0.120824D+01  0.148421D+01 -0.167367D+01 -0.689206D+01
               101           102           103           104           105 
      1   0.697339D+01 -0.199971D+01  0.449773D+01 -0.108863D+02  0.345821D+01
      2  -0.144842D+02  0.385698D+01 -0.967193D+01  0.200155D+02 -0.614786D+01
      3   0.751084D+01 -0.185727D+01  0.517420D+01 -0.912914D+01  0.268966D+01
      4   0.153105D+02 -0.607607D+01  0.122056D+02 -0.122798D+02  0.472845D+01
      5  -0.315502D+01  0.361874D+01 -0.141472D+01  0.265193D+01 -0.162168D+01
      6   0.810037D+01 -0.724216D+01  0.593106D+01 -0.911635D+01  0.745344D+01
               106           107           108           109           110 
      1  -0.314950D+01  0.659689D+01 -0.535535D+01 -0.180217D+01  0.176238D+01
      2   0.431664D+01 -0.915685D+01  0.458755D+01  0.240105D+01 -0.261097D+01
      3  -0.116714D+01  0.255996D+01  0.767804D+00 -0.598884D+00  0.848593D+00
      4  -0.769243D+01  0.723877D+01 -0.644629D+01 -0.130489D+01  0.449459D+01
      5   0.356761D+01 -0.305725D+01  0.321633D+01 -0.139284D+01  0.997295D+00
      6  -0.764258D+01  0.111313D+02 -0.926085D+01  0.165417D+01 -0.339256D+01
               111           112           113           114           115 
      1   0.163225D+01  0.601111D+00 -0.405142D+01 -0.253465D+01  0.119821D+01
      2  -0.149603D+01 -0.101018D+01  0.538014D+01  0.348913D+01 -0.106541D+01
      3  -0.136223D+00  0.409068D+00 -0.132872D+01 -0.954471D+00 -0.132795D+00
      4   0.198902D+01  0.377989D+01 -0.178323D+01 -0.221027D+01  0.458040D+01
      5   0.259216D+01  0.310650D+00 -0.113906D+01 -0.106811D+01  0.250388D+01
      6  -0.510681D+01 -0.245812D+01  0.422618D+01  0.675446D+01 -0.539797D+01
               116           117           118           119           120 
      1  -0.741853D+01 -0.914804D+01  0.536936D+02 -0.115924D+02  0.167506D+02
      2   0.827902D+01  0.199492D+01 -0.294718D+02  0.605645D+01 -0.100281D+02
      3  -0.860484D+00  0.715312D+01 -0.242219D+02  0.553595D+01 -0.672248D+01
      4  -0.321096D+01 -0.407101D+01 -0.113924D+02  0.101959D+02 -0.362981D+01
      5  -0.163461D+01 -0.351565D+01  0.196911D+02 -0.435042D+01  0.151944D+02
      6   0.106503D+02  0.229539D+02 -0.224711D+00  0.743929D+00 -0.106840D+00
               121           122           123           124           125 
      1  -0.208038D+02  0.840730D+01 -0.466330D+01  0.237902D+02 -0.330379D+01
      2   0.111054D+02 -0.239441D+01  0.290479D+01 -0.147042D+02  0.218606D+01
      3   0.969848D+01 -0.601290D+01  0.175851D+01 -0.908603D+01  0.111773D+01
      4   0.128805D+02 -0.775482D+01  0.603372D+01 -0.430418D+01  0.715181D+01
      5  -0.648336D+01  0.626253D+01 -0.764509D+01  0.194776D+02 -0.583368D+01
      6   0.153290D+01 -0.143896D+01  0.181970D+01 -0.614461D+00  0.211595D+01
               126           127           128           129           130 
      1   0.122076D+02  0.896718D+01 -0.268957D+01 -0.651606D+01 -0.598439D+01
      2  -0.110090D+02 -0.760445D+01  0.181750D+01  0.546917D+01  0.392307D+01
      3  -0.119861D+01 -0.136273D+01  0.872074D+00  0.104689D+01  0.206132D+01
      4  -0.502610D+01 -0.235188D+01  0.259035D+01  0.151047D+00  0.435209D+01
      5   0.136599D+02 -0.833404D+01  0.515692D+00  0.125181D+02  0.217487D+01
      6  -0.119584D+01  0.120442D-01 -0.192429D+00  0.611347D+00 -0.149033D+01
               131           132           133           134           135 
      1   0.416876D+00  0.574082D-01 -0.121841D+02 -0.105562D+01  0.306575D+01
      2  -0.332381D+00 -0.131908D+01  0.111154D+02 -0.146517D+00 -0.176124D+02
      3  -0.844948D-01  0.126167D+01  0.106871D+01  0.120214D+01  0.145466D+02
      4   0.301307D+00 -0.507260D+01 -0.735737D+00 -0.705011D+01 -0.276538D+01
      5  -0.481203D+01 -0.539168D+01  0.204944D+02 -0.259426D+01 -0.416070D+02
      6   0.128361D+01  0.403338D+01  0.381946D+00  0.437159D+01 -0.187761D+01
               136           137           138           139           140 
      1   0.201774D+01  0.462635D+01  0.267716D+01  0.111333D+02 -0.135197D+01
      2   0.186604D+01  0.721883D-01 -0.120961D+01 -0.290796D+01  0.162181D+02
      3  -0.388377D+01 -0.469854D+01 -0.146755D+01 -0.822532D+01 -0.148662D+02
      4   0.610444D+01  0.104350D+02  0.640844D+00  0.154738D+02  0.407696D+02
      5   0.263222D+01  0.328583D+00  0.252662D+01  0.225230D+00  0.451960D+01
      6   0.360478D+00 -0.724099D-01  0.614087D+00  0.677473D+00  0.213011D+01
               141           142           143           144           145 
      1  -0.104703D+01  0.456690D+01 -0.843340D+00  0.816143D+00  0.135897D+02
      2   0.155700D+01 -0.213160D+01  0.118622D+01 -0.773530D+00  0.104340D+01
      3  -0.509966D+00 -0.243530D+01 -0.342878D+00 -0.426136D-01 -0.146331D+02
      4   0.367174D+01  0.120761D+01  0.415563D+01  0.439951D+01 -0.270098D+02
      5   0.620936D+01  0.528396D+01  0.506411D+01 -0.483587D+00  0.932103D+01
      6   0.461649D+01  0.135497D+01  0.542390D+01  0.146244D+01 -0.952495D+01
               146           147           148           149           150 
      1  -0.297627D+01  0.345679D+01 -0.182917D+01 -0.274954D+01  0.170381D+01
      2  -0.901913D+01 -0.223579D+00 -0.732807D+01  0.147942D+02 -0.515833D+01
      3   0.119954D+02 -0.323321D+01  0.915724D+01 -0.120447D+02  0.345452D+01
      4   0.239773D+02 -0.103159D+02  0.186789D+02 -0.203576D+02  0.752443D+01
      5  -0.576653D+01  0.823897D+01 -0.389794D+01  0.579391D+01 -0.440383D+01
      6   0.700096D+01 -0.861419D+01  0.557028D+01 -0.914194D+01  0.794873D+01
               151           152           153           154           155 
      1   0.424224D+01  0.259102D+01 -0.784097D+00 -0.820112D+01 -0.130807D+02
      2  -0.785118D+00 -0.688207D+01  0.101736D+01  0.998599D+01  0.168241D+02
      3  -0.345713D+01  0.429105D+01 -0.233266D+00 -0.178487D+01 -0.374333D+01
      4  -0.117559D+02  0.108150D+02 -0.100897D+02  0.162899D+02  0.814699D+01
      5   0.871999D+01 -0.675640D+01  0.731174D+01 -0.126736D+01 -0.141560D+01
      6  -0.823336D+01  0.105611D+02 -0.796111D+01 -0.718381D+01 -0.464218D+01
               156           157           158           159           160 
      1   0.433493D+01 -0.913298D+01 -0.110756D+02  0.351666D+01  0.468522D+01
      2  -0.312753D+01  0.118777D+02  0.160371D+02 -0.458237D+01 -0.271912D+01
      3  -0.120740D+01 -0.274476D+01 -0.496149D+01  0.106571D+01 -0.196609D+01
      4  -0.489154D+01  0.843522D+01  0.616589D+01 -0.142339D+01 -0.549435D+01
      5   0.193393D+01 -0.606264D+00 -0.165371D+00 -0.274092D+00  0.265146D+01
      6   0.604822D+01 -0.359372D+01 -0.552901D+01  0.569604D+01  0.494965D+01
               161           162           163           164           165 
      1   0.527456D+01 -0.561530D+01 -0.746694D+00 -0.189193D+01 -0.174292D+01
      2  -0.649386D+01  0.338665D+01  0.131229D+01  0.235703D+00  0.121262D+01
      3   0.121930D+01  0.222864D+01 -0.565596D+00  0.165623D+01  0.530294D+00
      4  -0.670486D+00  0.186856D+01 -0.294957D+01  0.588788D+01  0.272682D+01
      5  -0.674455D+00 -0.167041D+01 -0.248441D+01  0.109853D+01  0.506915D+01
      6   0.736159D+01 -0.361502D+01  0.234163D+01 -0.643385D+00 -0.213586D+01
               166           167           168           169           170 
      1  -0.616226D+00 -0.474003D+01 -0.467120D+01 -0.211899D+01 -0.860974D+01
      2  -0.485502D+00  0.548359D+01  0.539871D+01  0.134959D+01  0.943503D+01
      3   0.110173D+01 -0.743566D+00 -0.727511D+00  0.769403D+00 -0.825291D+00
      4   0.433767D+01 -0.320701D+01 -0.290946D+01  0.475549D+01 -0.645150D+01
      5   0.128020D+00 -0.296404D+01 -0.278492D+01  0.585223D+01 -0.618984D+01
      6  -0.727194D+00  0.703467D+01  0.104719D+02 -0.315469D+01  0.146967D+02
               171 
      1  -0.115064D+02
      2  -0.367558D+00
      3   0.118740D+02
      4  -0.719152D+01
      5  -0.160417D+02
      6   0.289285D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.651879D+00      0.165691D+01      0.552686D+01
   x         -0.368312D-01     -0.936155D-01     -0.312268D+00
   y          0.177371D+00      0.450833D+00      0.150382D+01
   z          0.626202D+00      0.159165D+01      0.530916D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.750821D+02      0.111260D+02      0.123794D+02
   aniso      0.125958D+02      0.186650D+01      0.207676D+01
   xx         0.822268D+02      0.121848D+02      0.135574D+02
   yx         0.249082D+01      0.369102D+00      0.410681D+00
   yy         0.741808D+02      0.109925D+02      0.122308D+02
   zx         0.335195D+00      0.496708D-01      0.552662D-01
   zy         0.107135D+01      0.158758D+00      0.176643D+00
   zz         0.688386D+02      0.102008D+02      0.113500D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.791688D+02      0.117316D+02      0.130532D+02
   aniso      0.131037D+02      0.194176D+01      0.216050D+01
   xx         0.865441D+02      0.128245D+02      0.142692D+02
   yx         0.262350D+01      0.388763D+00      0.432557D+00
   yy         0.782051D+02      0.115888D+02      0.128943D+02
   zx         0.692416D+00      0.102605D+00      0.114164D+00
   zy         0.128742D+01      0.190776D+00      0.212267D+00
   zz         0.727573D+02      0.107815D+02      0.119961D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.99249768         -3.18249876         -0.90290510
     6          2.19035984         -0.57923332          0.33502886
     6         -0.00297730          1.15458809         -0.47444508
     6         -2.54686049         -0.15953132         -0.20984605
     8         -3.08485596         -0.72810269          2.23433408
     6          4.72544855          0.66250633         -0.26853606
     7          0.07337461          3.54723126          0.90648257
     8         -3.98833187         -0.62544017         -1.90605006
     1          0.19208718          1.57229809         -2.48495053
     1          2.04251315         -0.82123374          2.38570254
     1         -4.74195086         -1.51021113          2.24867232
     1         -1.22090478          4.77874195          0.21945608
     1         -0.32365726          3.26132185          2.75883173
     1          6.27998206         -0.48838600          0.44798414
     1          4.97063072          0.84937966         -2.31194813
     1          4.85303910          2.53884446          0.56403237
     1          3.58435338         -4.36532922         -0.33999176
     1          0.26222133         -4.17119614         -0.37366216
     1          2.02275779         -3.02151071         -2.96153797

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.651879D+00      0.165691D+01      0.552686D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.651879D+00      0.165691D+01      0.552686D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.750821D+02      0.111260D+02      0.123794D+02
   aniso      0.125958D+02      0.186650D+01      0.207676D+01
   xx         0.822613D+02      0.121899D+02      0.135631D+02
   yx         0.250318D+01      0.370933D+00      0.412719D+00
   yy         0.732610D+02      0.108562D+02      0.120791D+02
   zx         0.276661D+00      0.409969D-01      0.456152D-01
   zy         0.218132D+01      0.323238D+00      0.359650D+00
   zz         0.697239D+02      0.103320D+02      0.114959D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.791688D+02      0.117316D+02      0.130532D+02
   aniso      0.131037D+02      0.194176D+01      0.216050D+01
   xx         0.866199D+02      0.128357D+02      0.142817D+02
   yx         0.254898D+01      0.377719D+00      0.420269D+00
   yy         0.771648D+02      0.114346D+02      0.127228D+02
   zx         0.636784D+00      0.943616D-01      0.104991D+00
   zy         0.239376D+01      0.354718D+00      0.394677D+00
   zz         0.737218D+02      0.109244D+02      0.121551D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U22-16\Freq\RM11\Gen\C5H11N1O2\PIERPA\26-Sep-2021\0\\#P M
 11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Guess=
 Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,1.066458,-1.7422
 5,0.058829\C,1.144781,-0.237615,0.319196\C,0.017403,0.519585,-0.407509
 \C,-1.339934,-0.122015,-0.159849\O,-1.699602,-0.061835,1.14839\C,2.507
 306,0.318287,-0.090613\N,0.026381,1.937057,-0.04776\O,-2.052705,-0.609
 463,-0.9981\H,0.182303,0.443607,-1.483828\H,1.004355,-0.066187,1.39204
 6\H,-2.578745,-0.464892,1.218746\H,-0.631756,2.459844,-0.613015\H,-0.2
 39946,2.056537,0.923147\H,3.302392,-0.158123,0.485808\H,2.69871,0.1202
 38,-1.148924\H,2.557607,1.394116,0.066259\H,1.885722,-2.256885,0.56288
 1\H,0.1324,-2.176666,0.418486\H,1.144663,-1.956563,-1.009918\\Version=
 ES64L-G16RevA.03\State=1-A\HF=-402.5697913\RMSD=9.615e-09\RMSF=4.352e-
 06\ZeroPoint=0.1641271\Thermal=0.1736971\Dipole=-0.0368312,0.1773715,0
 .6262017\DipoleDeriv=0.046919,-0.0000612,-0.0017248,-0.0040004,-0.0241
 071,-0.0102375,-0.0176297,0.0199865,0.1100895,0.1403752,0.0091947,-0.0
 144542,-0.0520426,0.1063801,0.001961,0.0303428,0.0386261,0.0914589,0.1
 07006,-0.1016362,-0.0371304,-0.0809375,0.4198702,0.0253008,-0.0396091,
 0.0397288,0.1469069,1.0848394,0.3603488,0.0513727,0.4325501,0.3513079,
 0.2591207,-0.0366454,0.2312226,1.5618308,-0.520355,-0.0086398,0.335880
 5,-0.0255882,-0.3453823,0.0046719,0.2391886,-0.0342333,-1.1307598,-0.0
 139036,-0.0443401,0.0211351,0.0019878,0.0055292,0.0153852,-0.0307798,0
 .0013361,0.1312125,-0.5029136,-0.1520285,0.0303729,-0.0932648,-0.68295
 46,-0.0294218,0.0254125,-0.0259138,-0.1920233,-0.8409928,-0.2835609,-0
 .3396325,-0.2449336,-0.4515133,-0.2398903,-0.1277117,-0.1575277,-0.855
 5415,0.0279709,-0.0089112,0.0238151,0.0044564,0.0046544,-0.022909,0.02
 30953,-0.019968,-0.0860702,-0.0050086,0.0141506,0.0456143,0.006455,-0.
 0125617,-0.0438076,0.0281347,-0.0327334,-0.1302257,0.2483422,-0.043474
 9,-0.0409356,-0.0592082,0.28421,-0.0178178,-0.0856048,-0.0346775,0.303
 1214,0.0999605,0.1549635,-0.0916514,0.0606385,0.1694355,-0.0290983,-0.
 0632741,-0.0349371,0.1375327,0.2267891,0.0750762,0.0748498,0.0365839,0
 .1788343,0.0602663,0.0501517,0.0042445,0.0649069,-0.106091,0.0478527,-
 0.0558866,0.0889318,0.0229145,0.062772,-0.0839889,0.0583152,-0.000217,
 0.0262907,-0.0138919,-0.0119026,0.004839,0.0527141,-0.054745,0.0680318
 ,-0.0277225,-0.1421985,0.0824504,-0.0189856,0.0149289,-0.0656315,-0.09
 81589,-0.0205437,0.0121204,-0.0277459,0.0551698,-0.0675102,0.1098241,-
 0.0764696,0.06517,-0.0121185,0.0240232,-0.0766051,0.048945,0.0239115,-
 0.0971194,-0.0966206,0.0596067,-0.0730012,0.0044863,0.0030721,0.064201
 9,0.0157976,0.0378145,0.0629508,0.0007402,0.0122117,-0.0030046,0.02645
 98,0.0118977,0.0211689,-0.0627431,-0.1269195\Polar=82.2267878,2.490821
 3,74.1808332,0.335195,1.071355,68.8385936\Quadrupole=0.0566184,0.24195
 8,-0.2985764,-3.0237512,-3.6744762,-1.4948414\PG=C01 [X(C5H11N1O2)]\NI
 mag=0\\0.57597332,-0.00290346,0.46614697,0.00016792,-0.02227199,0.5600
 8492,-0.07948443,-0.00512487,-0.00119222,0.46342852,-0.00328943,-0.175
 11634,-0.02054169,0.00702954,0.47164007,-0.00125542,-0.01869441,-0.084
 11233,-0.02251660,0.02431955,0.57699598,0.00218892,0.00341374,0.002487
 14,-0.11648209,0.01438288,-0.02708537,0.44541286,0.02395569,-0.0217873
 0,0.01501783,0.02900162,-0.08553750,0.02282434,0.00200775,0.43916486,0
 .00628517,-0.00106317,0.00336688,-0.02930164,0.01504411,-0.10365817,-0
 .03032987,0.01800481,0.63289242,-0.00027176,0.00189122,0.00055644,-0.0
 3212860,-0.00054972,-0.00187079,-0.15441170,-0.02688958,0.02464105,0.6
 8064631,0.00334940,0.00260216,-0.00075874,0.01107372,0.01579969,-0.010
 34209,-0.01309378,-0.08512990,0.01548965,0.22988625,0.37087398,-0.0013
 3285,-0.00059260,0.00027071,-0.01522939,-0.00950394,0.00737745,0.02216
 739,0.01735848,-0.08571826,0.14878451,0.15322840,0.70179263,-0.0003157
 6,-0.00004438,0.00000911,0.00030928,-0.00099169,0.00135451,-0.00885742
 ,-0.00105249,0.03812320,-0.13250437,-0.02474739,0.05548335,0.51583932,
 -0.00091312,-0.00125267,-0.00001845,-0.00094336,-0.00164673,0.00161181
 ,-0.00961504,0.00579555,0.01333769,-0.02538635,-0.07532590,0.00005391,
 0.21491437,0.14601863,0.00073984,0.00026674,0.00006459,-0.00041693,0.0
 0220536,-0.00325076,0.00897265,-0.00080626,-0.01504709,0.03485512,-0.0
 0916626,-0.21354842,-0.06811236,0.02523240,0.37236913,-0.00446350,-0.0
 0743068,0.00066471,-0.15661440,-0.03418429,0.02738270,-0.03536467,-0.0
 0455683,0.00292783,0.00009281,0.00408462,-0.00219375,-0.00015158,-0.00
 047176,0.00077311,0.48302551,-0.03419058,-0.01951399,0.01000200,-0.030
 35005,-0.09078838,0.00979887,0.01444434,0.00782083,-0.00494267,0.00048
 910,-0.00477275,0.00231948,0.00066140,0.00083237,-0.00083773,-0.035865
 39,0.56998945,-0.00457540,-0.00122020,0.00192454,0.02879295,0.01073882
 ,-0.08755464,-0.01785407,-0.00557157,0.00367011,-0.00070407,0.00490451
 ,-0.00378448,0.00013855,-0.00057300,0.00135046,0.03005032,0.00984584,0
 .55225978,-0.00397645,0.00171671,-0.00239099,0.00125749,0.02671162,0.0
 0499125,-0.05816782,0.01798905,-0.00004844,0.00780669,-0.02752174,-0.0
 0712834,-0.00178581,-0.00157511,0.00202783,-0.00169426,-0.00066316,0.0
 0023767,0.30090471,0.00389720,-0.00032940,0.00245992,0.00564704,-0.028
 82339,-0.00525390,-0.01442956,-0.19339015,-0.01969687,-0.00226673,-0.0
 3829770,-0.00755298,-0.00291926,0.00181354,0.00167621,-0.00058056,-0.0
 0053864,-0.00025816,-0.17489038,0.45890494,-0.00381002,0.00153282,-0.0
 0192848,0.00043344,0.02023046,0.00458704,-0.01101869,-0.03413261,-0.10
 874990,-0.00332825,-0.00171078,0.00029984,0.00030663,0.00128700,0.0007
 7514,0.00048289,-0.00023514,0.00119909,0.05775140,-0.02200534,0.667149
 02,-0.00044141,-0.00034620,-0.00034386,-0.00079424,-0.00380580,0.00213
 576,-0.01313880,-0.01975097,-0.03103318,-0.34784677,-0.17300107,-0.243
 22219,0.03352434,-0.00056911,-0.01790048,-0.00093064,0.00132260,-0.001
 08349,-0.00846029,-0.00795638,-0.00008923,0.33709208,-0.00001915,-0.00
 185202,0.00087326,-0.00268515,-0.00727727,0.00333827,-0.02574198,0.011
 55351,-0.01940404,-0.17361173,-0.18784858,-0.17112924,-0.00178374,0.02
 210495,-0.03224980,-0.00127777,0.00222988,-0.00195732,0.00103619,0.001
 25579,0.00057522,0.20097209,0.16443563,0.00062042,-0.00021893,-0.00028
 323,0.00116782,-0.00026712,0.00056046,-0.00511463,-0.00699491,0.001768
 64,-0.25761815,-0.17632693,-0.38707392,-0.02775474,-0.03601439,-0.0998
 9038,-0.00021552,0.00030588,0.00016426,-0.00211652,-0.00120981,0.00210
 639,0.30014754,0.22168864,0.47395646,0.00050595,-0.00112165,0.00006241
 ,0.00191268,-0.00027338,-0.02471432,-0.05497908,0.00129681,0.03705127,
 -0.00639008,-0.00002918,0.03305956,-0.00645597,-0.00305425,0.00117163,
 0.00154168,-0.00032373,-0.00121613,0.00110538,0.00094452,-0.00095572,0
 .00178880,0.00125997,-0.00186270,0.06394954,-0.00052136,0.00111480,0.0
 0085732,-0.00179625,0.00072248,0.01639998,0.00149372,-0.04903669,-0.00
 927065,-0.00179194,0.00127927,0.01398865,-0.00348402,-0.00069843,0.000
 72935,-0.00094594,0.00032940,-0.00051143,0.00427164,-0.00958782,-0.038
 55411,0.00068792,-0.00021913,-0.00040259,-0.00134493,0.06268306,0.0002
 9196,-0.00060279,0.00035833,-0.00015984,0.00075584,-0.01739043,0.04424
 869,-0.01340864,-0.29899462,-0.00093609,-0.00101937,-0.01091291,0.0017
 0867,0.00078182,0.00084994,0.00116309,-0.00023811,0.00086421,0.0005396
 2,-0.00453157,-0.00695463,-0.00072496,-0.00006683,0.00304351,-0.043546
 43,0.01765796,0.32547654,0.00013117,-0.00071785,-0.00165454,-0.0513849
 4,0.00599544,0.03068034,-0.00011948,-0.00194479,-0.02656408,0.00196230
 ,-0.00002249,-0.00219226,-0.00087239,0.00005052,0.00078148,-0.00666397
 ,0.00382667,0.03056321,0.00108910,-0.00159653,0.00080087,-0.00027210,-
 0.00010869,0.00061868,-0.00317237,0.00245957,-0.00203987,0.06123787,0.
 00329573,-0.00888355,-0.03409597,0.00515276,-0.05329421,-0.03695288,-0
 .00006581,0.00062310,0.01731108,-0.00058265,-0.00016065,-0.00080756,0.
 00021867,-0.00019471,0.00026619,-0.00251903,0.00160401,0.01246348,-0.0
 0088094,0.00144106,0.00025777,0.00010685,0.00031894,0.00013601,0.00235
 216,-0.00135656,0.00161237,-0.00590508,0.06332333,0.00041359,-0.002188
 24,-0.00530191,0.02934214,-0.03714524,-0.28485630,-0.00067055,-0.00165
 585,-0.02066508,0.00127985,0.00063076,-0.00284688,0.00051372,-0.000065
 51,0.00151375,0.00238481,-0.00064236,-0.00864900,0.00074131,-0.0006825
 2,0.00201979,-0.00024595,-0.00015582,0.00102923,-0.00253436,0.00149915
 ,-0.00005086,-0.03235955,0.03998323,0.31242686,-0.00020791,-0.00030733
 ,0.00010306,0.00052297,-0.00007513,-0.00022898,0.00325990,0.00084008,0
 .00290548,-0.01992182,-0.00901953,0.01408829,-0.39726916,-0.17436053,0
 .03729337,-0.00000588,0.00000907,0.00009443,0.00054508,0.00006286,-0.0
 0078920,-0.00012313,0.00135636,-0.00795867,-0.00051500,-0.00032873,0.0
 0010660,-0.00001549,-0.00001882,0.00003070,0.41352026,0.00025092,0.000
 15084,-0.00005447,-0.00044953,-0.00000940,0.00009445,-0.00105810,0.003
 21867,-0.00098510,-0.00154032,0.00434088,0.00434050,-0.18082909,-0.098
 79824,0.01272340,-0.00009167,-0.00007743,-0.00027967,0.00084790,0.0008
 1898,0.00044368,0.00150739,-0.00587181,-0.00188338,-0.00000330,0.00027
 399,-0.00013818,-0.00012756,-0.00000824,-0.00013155,0.18173330,0.09596
 304,-0.00000038,0.00004921,-0.00004125,-0.00040001,-0.00008540,-0.0003
 1739,0.00034279,-0.00232141,-0.00710982,0.05478717,0.02398647,-0.00672
 454,-0.00274049,-0.00624915,-0.04498904,0.00006460,0.00006406,0.000163
 33,-0.00085837,-0.00060692,0.00041840,-0.00772109,-0.00170245,0.004444
 65,0.00161952,0.00068360,-0.00029808,0.00016404,-0.00004916,0.00036783
 ,-0.04520915,-0.01438303,0.05366097,-0.00036611,-0.00006025,-0.0004678
 7,0.00004835,0.00141239,0.00103915,-0.00415094,-0.00877147,0.00118334,
 0.00204917,-0.00159748,0.00082757,-0.00050080,0.00012965,0.00008175,0.
 00026191,0.00025840,-0.00016905,-0.18854425,0.15810995,-0.16340202,-0.
 00007908,0.00052676,-0.00025088,0.00007177,0.00035871,0.00018869,0.000
 06677,-0.00024440,0.00004782,0.00001044,-0.00011599,0.00002934,0.18734
 652,0.00184660,-0.00026339,0.00109572,-0.00224710,-0.00619990,-0.00328
 666,0.02414534,-0.02080254,0.02121872,0.00104666,-0.00049100,0.0017802
 9,-0.00021183,0.00020807,-0.00028968,-0.00063370,0.00019393,-0.0000564
 4,0.12236446,-0.13587136,0.09038146,0.00015365,0.00012821,-0.00046950,
 0.00014820,0.00140306,-0.00047531,-0.00036144,0.00018394,-0.00007630,-
 0.00008100,-0.00015666,0.00018853,-0.14279357,0.15910303,0.00050333,-0
 .00048426,0.00073698,-0.00026788,-0.00216729,-0.00051181,0.00829790,-0
 .00697647,0.00755407,0.00064592,0.00040972,0.00076566,0.00032342,-0.00
 034743,-0.00036298,-0.00007072,-0.00016660,0.00014167,-0.13148168,0.09
 636357,-0.17288769,-0.00060008,0.00001926,-0.00068401,0.00042993,-0.00
 004087,0.00042673,0.00010640,-0.00013504,0.00047149,0.00003923,0.00018
 483,0.00002797,0.15030429,-0.10711280,0.18534824,-0.00003084,0.0002364
 5,-0.00052002,0.00041969,0.00017764,0.00208184,-0.00342695,-0.00713055
 ,-0.00142073,0.00077173,-0.00035515,-0.00406140,-0.00017276,0.00029464
 ,0.00050800,-0.00048734,0.00033264,-0.00024928,-0.05056305,0.03534381,
 0.12394069,0.00025474,0.00007302,0.00107938,0.00061647,0.00065353,0.00
 016947,0.00010091,0.00055535,-0.00071401,-0.00009640,-0.00001889,0.000
 08187,0.00327264,-0.00363065,-0.02831661,0.04980591,-0.00013366,-0.000
 14372,0.00035624,-0.00057934,0.00149679,-0.00146702,0.01002647,-0.0077
 3628,-0.04088459,0.00007489,0.00011409,-0.00438774,0.00009742,0.000057
 52,0.00089591,0.00008715,0.00014102,0.00008195,0.02434570,-0.05643322,
 -0.02040694,0.00016924,0.00014785,0.00153640,-0.00006641,-0.00670703,-
 0.00101697,0.00046498,-0.00020392,0.00120972,-0.00021253,0.00032755,0.
 00052746,-0.00799585,0.00287642,0.02065314,-0.02595035,0.06601366,-0.0
 0008575,0.00014990,0.00004542,0.00009207,0.00009529,0.00153941,0.00451
 641,-0.00095677,-0.01021109,-0.00068061,0.00017968,-0.00059257,0.00069
 250,0.00132354,0.00008004,-0.00002955,-0.00007998,-0.00017912,0.077303
 36,-0.03851553,-0.38883801,0.00052682,0.00010537,0.00052716,-0.0001693
 8,-0.00184324,0.00177021,0.00041806,-0.00020492,0.00003440,-0.00030473
 ,0.00002201,0.00018809,0.01038735,-0.00275151,-0.02080883,-0.09263917,
 0.04243926,0.41652287,0.00091664,0.00150713,-0.00051861,-0.02238125,0.
 01312004,-0.01641947,-0.00505059,-0.00344584,0.00273727,0.00042182,0.0
 0249030,-0.00138555,-0.00036994,-0.00037030,0.00059507,-0.18055119,0.0
 8231082,-0.10005247,0.00061124,-0.00007068,-0.00001106,-0.00080356,-0.
 00105691,-0.00006806,0.00025917,-0.00022587,0.00010653,0.00107952,0.00
 048547,0.00037118,0.00001563,-0.00001860,-0.00001477,-0.00004855,-0.00
 003466,0.00007773,-0.00005732,0.00001002,-0.00006212,0.19963466,-0.000
 57649,0.00099416,-0.00061556,-0.00964664,0.00397497,-0.00734911,-0.002
 81475,-0.00177053,0.00036634,-0.00043690,0.00078985,-0.00038436,0.0000
 3236,-0.00004661,0.00007788,0.08398457,-0.09800806,0.06206878,0.001465
 71,0.00039534,0.00011912,-0.00007226,-0.00034491,-0.00001432,0.0000163
 5,-0.00015548,0.00013108,0.00074695,0.00031906,-0.00017152,-0.00001810
 ,-0.00003143,0.00003298,0.00006782,0.00004949,0.00000780,0.00005397,0.
 00004542,0.00000519,-0.09013228,0.10337945,-0.00011617,-0.00022227,-0.
 00006612,0.00796285,-0.00425775,0.00436749,0.00211933,0.00065459,-0.00
 015012,0.00006620,-0.00049651,0.00068570,-0.00011434,-0.00000737,-0.00
 008248,-0.10146871,0.06159423,-0.12179863,-0.00009235,0.00006398,0.000
 10876,0.00013983,0.00028918,0.00002887,0.00029130,-0.00003176,0.000427
 48,-0.00039094,-0.00054939,0.00076095,-0.00002490,0.00000497,0.0000237
 8,0.00007930,0.00003388,-0.00003874,-0.00003735,-0.00000263,0.00000268
 ,0.10956354,-0.06914766,0.12916933,0.00122557,0.00150105,0.00023943,-0
 .00721871,0.00530108,0.03082727,0.00184716,-0.00008986,0.00209998,0.00
 011773,-0.00028112,0.00044701,-0.00005623,0.00007074,-0.00037162,-0.05
 326193,0.00782634,0.03845119,-0.00005197,0.00019332,-0.00046185,0.0000
 0874,-0.00002341,-0.00024114,-0.00023266,0.00014036,-0.00084957,-0.005
 14481,-0.00236230,0.00143309,0.00000207,0.00007766,-0.00009861,-0.0000
 8765,0.00004036,0.00003151,0.00014788,-0.00017904,-0.00001979,0.004267
 54,-0.00559445,-0.02276883,0.05884571,0.00028337,0.00097353,0.00126746
 ,-0.00208408,0.00111632,0.01238315,0.00058016,0.00016191,-0.00047375,0
 .00016018,0.00001934,0.00012832,-0.00008134,-0.00002041,-0.00003348,0.
 00804238,-0.05676505,-0.04760700,0.00028141,-0.00029464,0.00066494,-0.
 00001337,-0.00005160,-0.00002320,0.00023422,0.00017726,-0.00013328,-0.
 00248534,-0.00026638,0.00076218,-0.00001057,0.00002201,-0.00002300,0.0
 0023016,0.00010159,-0.00005880,-0.00030060,-0.00010481,0.00002404,-0.0
 0318158,0.00238138,0.01445184,-0.00641275,0.05639429,-0.00067143,-0.00
 055914,0.00061920,0.00254252,-0.00133479,-0.01083188,-0.00077205,0.000
 08294,0.00040018,-0.00015786,-0.00023061,0.00002407,-0.00008571,-0.000
 00012,0.00017902,0.03973683,-0.04635046,-0.28574745,0.00028520,-0.0001
 1893,0.00018871,0.00018624,0.00022152,0.00018962,0.00059284,-0.0003073
 9,0.00057094,0.00187871,0.00087584,0.00113057,-0.00004939,-0.00001504,
 0.00006269,0.00017029,0.00005637,-0.00007009,-0.00023222,0.00008438,-0
 .00000727,0.00260817,-0.00348268,-0.01627060,-0.04633848,0.05098213,0.
 31288213,-0.00587726,-0.00090239,0.00199852,-0.00041729,-0.03008928,-0
 .00605222,0.00070897,-0.00118265,-0.00056162,-0.00038535,-0.00046285,0
 .00021094,0.00022210,0.00024013,-0.00025419,-0.04664380,-0.00806699,-0
 .00094871,-0.00052056,0.00073593,0.00047336,0.00044834,0.00027878,0.00
 017527,-0.00008971,0.00015906,-0.00007737,0.00115663,0.00061519,0.0001
 0238,0.00000636,-0.00006132,0.00002096,0.00048032,0.00030205,-0.000051
 38,-0.00041633,-0.00002932,0.00012138,0.00125501,0.02281721,0.00486969
 ,-0.00061007,0.00469941,0.00012456,0.05072456,-0.00271123,0.00013066,0
 .00164318,-0.00111607,-0.01073381,-0.00207873,0.00038126,-0.00101752,0
 .00027333,-0.00001251,-0.00020298,-0.00020341,-0.00001508,0.00010367,0
 .00001632,-0.01208650,-0.30924390,-0.04003291,0.00274694,-0.00002510,0
 .00015699,-0.00006962,0.00001152,0.00004142,-0.00006235,-0.00003132,-0
 .00002386,-0.00008106,0.00041994,0.00035093,0.00002772,-0.00003844,-0.
 00001287,0.00016210,0.00015783,0.00002452,0.00002067,-0.00003437,-0.00
 006722,-0.00027201,-0.01194817,-0.00197614,0.00015496,-0.00393270,-0.0
 0084351,0.01273723,0.33656798,0.00155037,0.00040439,-0.00014044,-0.000
 54133,0.00999816,0.00046252,-0.00036154,-0.00075526,0.00023474,-0.0000
 9179,0.00004457,0.00006739,0.00002895,0.00001056,-0.00007256,-0.001690
 76,-0.03983802,-0.05475312,0.00037319,0.00023142,-0.00046067,0.0000350
 2,-0.00001858,-0.00002030,-0.00001925,-0.00011083,-0.00004210,-0.00062
 154,0.00016892,0.00023719,-0.00001302,0.00001253,0.00000084,-0.0001657
 3,-0.00009697,-0.00002447,0.00044776,0.00008159,-0.00002033,0.00184512
 ,0.01815362,0.00261115,-0.00130564,-0.03188559,-0.00399396,-0.00010161
 ,0.04309475,0.05497658,-0.19654492,0.09211717,-0.09291224,0.00059519,-
 0.00130531,0.00148697,0.00029729,-0.00053311,0.00069558,0.00031390,-0.
 00081290,-0.00026730,-0.00009211,0.00022983,0.00014137,0.00078370,-0.0
 0093832,0.00031285,0.00026273,-0.00010099,-0.00023130,0.00001838,0.000
 49991,0.00019644,-0.00004178,-0.00002207,-0.00009257,-0.00000820,0.000
 39967,0.00027438,0.00012957,-0.00004405,-0.00011952,0.00011437,-0.0000
 2256,0.00003480,-0.00004370,-0.00006061,-0.00003467,0.00040476,-0.0000
 6028,-0.00012086,-0.00001097,0.00004507,0.00003633,0.00014169,0.000085
 82,0.00018412,0.21182057,0.09020094,-0.10074962,0.05613207,0.02542847,
 -0.01674804,0.01683843,-0.00250265,-0.00473346,-0.00300799,-0.00135528
 ,-0.00100861,-0.00017675,0.00024496,0.00028439,-0.00016294,0.00153087,
 0.00158844,0.00054353,0.00143766,-0.00150099,0.00133684,0.00035211,0.0
 0070362,0.00017796,-0.00021229,0.00010410,0.00004415,0.00005810,0.0013
 2376,-0.00035402,0.00006140,-0.00005275,-0.00002652,0.00022461,-0.0006
 6822,-0.00031801,0.00005049,-0.00000280,0.00003074,-0.00102846,-0.0001
 2896,-0.00025191,-0.00015143,-0.00007814,0.00003435,0.00004818,0.00033
 647,-0.00036734,-0.09993760,0.11284543,-0.09270010,0.05718392,-0.10449
 458,0.00553093,-0.00350664,0.00240769,-0.00010674,-0.00118188,0.000143
 96,-0.00024075,0.00006757,-0.00077865,0.00002415,-0.00016559,0.0002729
 5,-0.00002915,0.00004026,0.00001303,0.00015228,-0.00026711,0.00055741,
 -0.00002958,0.00011509,0.00030055,0.00018483,-0.00029218,0.00038179,0.
 00041164,0.00050395,0.00051515,-0.00002930,0.00002235,-0.00000584,0.00
 003070,-0.00014360,-0.00003062,-0.00003867,0.00009774,0.00001838,0.000
 19173,0.00020138,0.00023906,-0.00014216,0.00009405,-0.00014703,0.00024
 597,-0.00006634,-0.00003441,0.10240520,-0.06128340,0.10936448,-0.24000
 579,-0.08655921,0.07567577,-0.00056925,0.00020163,-0.00071022,0.000203
 69,0.00015519,-0.00025815,-0.00057043,-0.00004029,0.00011341,-0.000365
 58,0.00088382,-0.00020835,0.00082290,-0.00113476,-0.00063256,0.0003012
 8,-0.00010076,0.00005598,-0.00018217,0.00085544,-0.00007929,-0.0000348
 3,0.00005570,-0.00003848,0.00023435,-0.00039303,-0.00033720,0.00005058
 ,-0.00000426,0.00000543,0.00006695,-0.00005808,-0.00000102,-0.00009316
 ,-0.00002829,-0.00000226,0.00039708,0.00021275,0.00012012,0.00007233,0
 .00021026,-0.00006032,-0.00015754,0.00001125,0.00025912,-0.02053574,-0
 .00909815,0.00872565,0.26171279,-0.08490594,-0.08677444,0.03326697,-0.
 02889578,-0.01088061,0.01216492,-0.00127411,0.00112126,0.00025023,0.00
 079391,-0.00226302,0.00178128,0.00009703,0.00063530,-0.00068917,0.0016
 7427,-0.00663398,-0.00175337,0.00046119,0.00037980,-0.00033418,0.00026
 697,0.00042087,-0.00024889,0.00004522,-0.00002731,-0.00006376,0.000191
 78,0.00134927,-0.00031240,0.00029808,-0.00004675,-0.00013148,0.0000560
 0,0.00002479,0.00003506,-0.00015609,-0.00011244,-0.00004514,-0.0000121
 8,0.00017356,-0.00025102,0.00027856,0.00010499,0.00010986,-0.00205349,
 -0.00071582,0.00047892,0.01274916,0.00602243,-0.00629433,0.09468448,0.
 09540311,0.07554616,0.03413674,-0.07669043,-0.00668719,-0.00244803,0.0
 0080226,0.00047538,0.00036677,-0.00014095,0.00035317,0.00147800,0.0019
 0200,0.00005578,-0.00005893,-0.00078167,-0.00005625,-0.00121432,0.0001
 4023,-0.00027950,-0.00002637,-0.00003427,-0.00033694,-0.00103390,-0.00
 072795,0.00006462,0.00001142,0.00003592,-0.00043847,0.00041293,0.00042
 451,0.00000218,-0.00000352,0.00013748,0.00003004,0.00006626,-0.0000194
 5,0.00004027,0.00000042,0.00000854,0.00036991,0.00000716,0.00001338,-0
 .00030981,-0.00018486,0.00041230,-0.00020926,-0.00028490,0.00061989,-0
 .01339611,-0.00691723,0.00538234,-0.08308730,-0.03664799,0.07834615,-0
 .04895543,0.00313481,0.01803583,-0.00101898,0.00023178,-0.00112640,0.0
 0023075,0.00010193,0.00086756,0.00024842,0.00010069,0.00183099,-0.0001
 2516,0.00044522,-0.00067729,0.00030465,0.00005158,-0.00115594,-0.00011
 925,-0.00002279,-0.00014791,-0.00006323,-0.00054997,-0.00072526,0.0001
 6005,0.00018090,-0.00005815,0.00059513,-0.00020979,-0.00007336,0.00009
 194,-0.00005448,0.00004667,-0.00001182,0.00002729,-0.00000511,-0.00000
 212,-0.00004046,-0.00002991,-0.00000068,-0.00004553,-0.00007773,0.0001
 4028,-0.00019698,0.00020578,-0.00002608,0.00009847,0.00018854,0.002395
 27,-0.00535192,-0.02458663,-0.00134746,0.00570094,0.02786331,0.0475037
 2,0.00308457,-0.05544666,-0.04461509,0.00258506,-0.00769474,-0.0343489
 6,-0.00027989,0.00148219,-0.00156714,0.00008151,-0.00031817,-0.0002407
 2,-0.00010590,0.00012970,0.00014557,0.00124028,0.00161287,-0.00082585,
 -0.00014486,0.00008296,0.00039279,0.00004596,0.00015454,0.00018764,0.0
 0019404,-0.00026765,0.00073545,-0.00044315,-0.00653818,-0.00085463,0.0
 0004339,-0.00002481,0.00005906,0.00004246,0.00002271,0.00010968,-0.000
 24992,0.00025829,0.00008930,-0.00007442,-0.00006854,0.00010174,-0.0004
 9006,0.00006111,0.00079528,0.00021514,0.00019605,0.00039314,-0.0022888
 3,0.00246294,0.01487478,0.00014632,0.00181898,0.01234034,-0.00360168,0
 .06207639,0.01842874,-0.04560572,-0.29441280,0.00084830,-0.00212969,-0
 .00661659,-0.00031416,0.00045188,0.00041410,-0.00034107,-0.00036804,-0
 .00120483,0.00004508,-0.00013879,0.00057036,0.00012351,0.00057477,0.00
 057573,-0.00000692,-0.00006908,0.00044406,0.00015982,0.00049217,0.0005
 6000,0.00049038,-0.00046238,0.00043803,-0.00016216,-0.00119684,0.00143
 830,-0.00005600,0.00002521,-0.00001006,0.00005592,-0.00006246,-0.00003
 413,-0.00011983,0.00020168,-0.00007996,0.00006585,-0.00000614,-0.00003
 193,-0.00062199,-0.00033515,0.00040882,-0.00008669,-0.00001156,0.00035
 205,0.00140652,-0.00227197,-0.01410566,0.00045968,-0.00131552,-0.00983
 032,-0.02037498,0.05222763,0.32112485\\-0.00000236,-0.00000836,0.00000
 351,0.00000294,0.00000968,-0.00000367,-0.00000292,0.00001378,0.0000050
 4,0.00000455,-0.00000360,0.00001284,0.00000295,0.00000325,-0.00000915,
 -0.00000280,-0.00001054,0.00000297,0.00000662,-0.00000098,0.00000147,-
 0.00000503,-0.00000355,-0.00000083,-0.00000288,0.00000273,0.00000004,0
 .00000417,-0.00000085,-0.00000096,-0.00000210,-0.00000111,0.00000227,0
 .00000218,0.00000143,-0.00000424,-0.00000375,0.00000024,-0.00000468,-0
 .00000103,-0.00000060,0.00000049,0.00000073,-0.00000136,-0.00000100,0.
 00000023,0.00000117,-0.00000304,-0.00000081,-0.00000060,0.00000140,0.0
 0000103,-0.00000191,-0.00000158,-0.00000174,0.00000119,-0.00000089\\\@


 10 WHATSOEVER THY HAND FINDETH TO DO, DO IT WITH THY  
 MIGHT. FOR THERE IS NO WORK, NOR DEVICE, NOR KNOWLEDGE, NOR  
 WISDOM, IN THE GRAVE, WHITHER THOU GOEST.                    
 11 I RETURNED AND SAW UNDER THE SUN, THAT THE RACE IS NOT TO 
 THE SWIFT, NOR THE BATTLE TO THE STRONG, NEITHER YET BREAD TO
 THE WISE, NOR YET RICHES TO MEN OF UNDERSTANDING, NOR YET    
 FAVOR TO MEN OF SKILL. BUT TIME AND CHANCE HAPPEN TO THEM ALL.
 12 FOR MAN ALSO KNOWETH NOT HIS TIME. AS THE FISHES   
 THAT ARE TAKEN IN AN EVIL NET, AND AS THE BIRDS THAT ARE     
 CAUGHT IN THE SNARE. SO ARE THE SONS OF MEN SNARED IN AN EVIL
 TIME, WHEN IT FALLETH SUDDENLY UPON THEM.
                                         ECCLESIASTES 9
 Job cpu time:       0 days  1 hours 55 minutes 55.6 seconds.
 Elapsed time:       0 days  0 hours 14 minutes 32.4 seconds.
 File lengths (MBytes):  RWF=    228 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Sun Sep 26 20:02:28 2021.
